3-(3-{10-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}benzamido)benzoic acid

3-(3-{10-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}benzamido)benzoic acid

Formula: C26H15N3O7

SMILES: OC(=O)C1=CC(NC(=O)C2=CC=CC(=C2)N2C(=O)C3=CC=CC4=C(C=CC(C2=O)=C34)[N+]([O-])=O)=CC=C1

IUPAC: 3-(3-{10-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}benzamido)benzoic acid

InChI: InChI=1S/C26H15N3O7/c30-23(27-16-6-1-5-15(12-16)26(33)34)14-4-2-7-17(13-14)28-24(31)19-9-3-8-18-21(29(35)36)11-10-20(22(18)19)25(28)32/h1-13H,(H,27,30)(H,33,34)

Composition: C (64.87%), H (3.14%), N (8.73%), O (23.26%)

Molar Mass: 481.42

Atom Count: 51

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	481.090999835
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	FXNUAURXBXXGAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.55
Topological Polar Surface Area	146.92
Polarizability	48.43
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H15N3O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00