[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13-4-7-15(10-17(13)22(25)26)19(24)27-12-18(23)20-11-14-5-8-16(9-6-14)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,23)