[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5/c1-14-7-5-11-16(18(14)21(24)25)19(23)26-13-17(22)20-12-6-10-15-8-3-2-4-9-15/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,20,22)