[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylbutanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylbutanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O5/c1-3-15(13-7-5-4-6-8-13)19(24)27-12(2)18(23)21-17-11-14(22(25)26)9-10-16(17)20/h4-12,15H,3H2,1-2H3,(H,21,23)