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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-13-5-4-6-16(14(13)2)22-19(24)12-29-20(25)15-7-8-17(21-9-10-28-3)18(11-15)23(26)27/h4-8,11,21H,9-10,12H2,1-3H3,(H,22,24)