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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])O

InChI

InChI=1S/C24H24N2O7/c1-2-15-10-18-17(12-23(28)33-22(18)13-21(15)27)14-32-24(29)16-6-7-19(20(11-16)26(30)31)25-8-4-3-5-9-25/h6-7,10-13,27H,2-5,8-9,14H2,1H3