[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-3-4-11-21-17-8-6-5-7-16(17)20(24)27-13-19(23)15-10-9-14(2)18(12-15)22(25)26/h5-10,12,21H,3-4,11,13H2,1-2H3