[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O5/c1-2-6-17(13-7-4-3-5-8-13)21-18(23)12-27-19(24)15-10-9-14(22(25)26)11-16(15)20/h3-5,7-11,17H,2,6,12H2,1H3,(H,21,23)