(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H24N2O6 MolecularWeight: 472.48926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O6/c1-17-10-12-28(13-11-17)22-8-6-19(14-23(22)29(32)33)27(31)34-16-20-15-25(30)35-24-9-7-18-4-2-3-5-21(18)26(20)24/h2-9,14-15,17H,10-13,16H2,1H3