[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5/c1-14-9-10-16(15(2)12-14)19(23)13-27-20(24)8-5-11-21-17-6-3-4-7-18(17)22(25)26/h3-4,6-7,9-10,12,21H,5,8,11,13H2,1-2H3