[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-17(19-12-4-7-14-5-2-1-3-6-14)13-25-18(22)15-8-10-16(11-9-15)20(23)24/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,21)