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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-13-10-20(24)29-19-12-15(5-6-16(13)19)28-21(25)14-4-7-17(18(11-14)23(26)27)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3