(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C20H14ClNO6 MolecularWeight: 399.78126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO6/c21-17-5-4-14(22(25)26)9-16(17)20(24)27-10-13-8-19(23)28-18-7-12-3-1-2-11(12)6-15(13)18/h4-9H,1-3,10H2