(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-6-5-11-23(13-14)17-10-9-16(12-18(17)24(27)28)21(26)29-19(20(22)25)15-7-3-2-4-8-15/h2-4,7-10,12,14,19H,5-6,11,13H2,1H3,(H2,22,25)