(3-nitrophenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)butyric acid (3-nitrobenzyl) ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-12-5-6-15(16(9-12)21(26)27)19-17(22)7-8-18(23)28-11-13-3-2-4-14(10-13)20(24)25/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)