[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-5-10-22-17-9-7-6-8-16(17)21(26)29-13-20(25)23-18-11-14(2)15(3)12-19(18)24(27)28/h6-9,11-12,22H,4-5,10,13H2,1-3H3,(H,23,25)