[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5/c1-3-4-12-21-16-10-6-5-9-15(16)20(25)28-13-18(24)22-19-14(2)8-7-11-17(19)23(26)27/h5-11,21H,3-4,12-13H2,1-2H3,(H,22,24)