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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-11-21(25)30-20-13-16(6-7-17(14)20)29-22(26)15-5-8-18(19(12-15)24(27)28)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3