[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[2-(2,6-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)C)NC(=O)CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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