[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C19H18N2O5/c1-12-15(8-5-9-16(12)21(24)25)19(23)26-17(13-6-3-2-4-7-13)18(22)20-14-10-11-14/h2-9,14,17H,10-11H2,1H3,(H,20,22)