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

Systemtic Name: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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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)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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