(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC(=C(C=C4)NC5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC(=C(C=C4)NC5CC5)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6/c26-22-11-16(18-8-13-2-1-3-14(13)10-21(18)31-22)12-30-23(27)15-4-7-19(24-17-5-6-17)20(9-15)25(28)29/h4,7-11,17,24H,1-3,5-6,12H2