(4-methyl-2-oxidanylidene-chromen-7-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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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)C(=CC(=O)O4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-14-7-9-24(10-8-14)19-6-3-16(12-20(19)25(28)29)23(27)30-17-4-5-18-15(2)11-22(26)31-21(18)13-17/h3-6,11-14H,7-10H2,1-2H3