methyl 3-[(3-acetamidophenyl)carbamoyl]-5-nitrobenzoate

methyl 3-[(3-acetamidophenyl)carbamoyl]-5-nitrobenzoate

Formula: C17H15N3O6

SMILES: COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)NC1=CC=CC(NC(C)=O)=C1

IUPAC: methyl 3-[(3-acetamidophenyl)carbamoyl]-5-nitrobenzoate

InChI: InChI=1S/C17H15N3O6/c1-10(21)18-13-4-3-5-14(9-13)19-16(22)11-6-12(17(23)26-2)8-15(7-11)20(24)25/h3-9H,1-2H3,(H,18,21)(H,19,22)

Composition: C (57.14%), H (4.23%), N (11.76%), O (26.86%)

Molar Mass: 357.322

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	357.096085215
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QKRPCBRHOOMXJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.8
Topological Polar Surface Area	127.64
Polarizability	34.21
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00