4-tert-butyl-N-({N'-[(3Z)-5-nitro-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

4-tert-butyl-N-({N'-[(3Z)-5-nitro-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

Formula: C21H21N5O5

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NN=C1/C(=O)NC2=C1C=C(C=C2)[N+]([O-])=O

IUPAC: 4-tert-butyl-N-({N'-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

InChI: InChI=1S/C21H21N5O5/c1-21(2,3)13-6-4-12(5-7-13)19(28)22-11-17(27)24-25-18-15-10-14(26(30)31)8-9-16(15)23-20(18)29/h4-10H,11H2,1-3H3,(H,22,28)(H,24,27)(H,23,25,29)

Composition: C (59.57%), H (5.00%), N (16.54%), O (18.89%)

Molar Mass: 423.429

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	423.154268796
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	WDNYQIXDNLIWAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.86
Topological Polar Surface Area	142.8
Polarizability	41.74
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N5O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00