[2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O6/c1-12-4-3-5-16(13(12)2)21-17(23)10-20-18(24)11-28-19(25)14-6-8-15(9-7-14)22(26)27/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,23)