[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13-7-9-15(10-8-13)21-17(24)11-22(3)18(25)12-29-20(26)16-6-4-5-14(2)19(16)23(27)28/h4-10H,11-12H2,1-3H3,(H,21,24)