[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7/c1-11(18(24)21-14-4-2-3-5-16(14)22(26)27)30-19(25)12-6-9-15(20-13-7-8-13)17(10-12)23(28)29/h2-6,9-11,13,20H,7-8H2,1H3,(H,21,24)