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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-4-6-17-16(12-21(25)30-20(17)10-14)13-29-22(26)15-5-7-18(19(11-15)24(27)28)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3