3-phenylpropyl 4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-5-nitro-anilino)butyric acid 3-phenylpropyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-15-9-10-17(22(25)26)14-18(15)21-19(23)11-12-20(24)27-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,21,23)