[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O7/c1-5-29-18-10-15(16(23(26)27)11-17(18)28-4)20(25)30-12-19(24)21-13-6-8-14(9-7-13)22(2)3/h6-11H,5,12H2,1-4H3,(H,21,24)