[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-2-7-17(14-8-4-3-5-9-14)20-18(22)13-26-19(23)15-10-6-11-16(12-15)21(24)25/h3-6,8-12,17H,2,7,13H2,1H3,(H,20,22)