(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H20N2O7/c1-29-16-5-6-17-14(10-21(25)31-20(17)12-16)13-30-22(26)18-11-15(24(27)28)4-7-19(18)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3