[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13-6-9-21(10-7-13)16-5-4-14(11-17(16)22(25)26)19(24)27-12-18(23)15-3-2-8-20-15/h2-5,8,11,13,20H,6-7,9-10,12H2,1H3