3-phenylpropyl 4-[(4-chloranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-chloranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(4-chloro-3-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-chloro-3-nitroanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-chloro-3-nitroanilino)-4-oxobutanoate Traditional Name: 4-(4-chloro-3-nitro-anilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c20-16-9-8-15(13-17(16)22(25)26)21-18(23)10-11-19(24)27-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,21,23)