[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

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