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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O7/c1-14-3-2-8-24(12-14)19-7-4-15(9-20(19)25(29)30)23(28)31-13-16-10-22(27)32-21-11-17(26)5-6-18(16)21/h4-7,9-11,14,26H,2-3,8,12-13H2,1H3