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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O7/c1-15-7-9-25(10-8-15)20-6-3-16(11-21(20)26(29)30)24(28)32-14-17-12-23(27)33-22-13-18(31-2)4-5-19(17)22/h3-6,11-13,15H,7-10,14H2,1-2H3