[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H16ClN3O5/c1-12(19(25)22-17-8-7-15(23(26)27)10-16(17)20)28-18(24)9-6-13-2-4-14(11-21)5-3-13/h2-5,7-8,10,12H,6,9H2,1H3,(H,22,25)