(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-14-8-10-24(11-9-14)19-6-2-16(13-20(19)25(28)29)22(27)30-17-4-5-18-15(12-17)3-7-21(26)23-18/h2,4-6,12-14H,3,7-11H2,1H3,(H,23,26)