6-[[(4-chloranyl-2,5-dimethoxy-phenyl)azaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 6-[[(4-chloranyl-2,5-dimethoxy-phenyl)azaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 6-[[(4-chloro-2,5-dimethoxy-phenyl)ammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 6-[[(4-chloro-2,5-dimethoxyphenyl)ammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 6-[[(4-chloro-2,5-dimethoxyphenyl)azaniumyl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 6-[[(4-chloro-2,5-dimethoxy-phenyl)ammonio]methyl]-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[NH2+]CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1[NH2+]CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)[O-])OC)Cl

InChI

InChI=1S/C21H20ClNO5/c1-26-18-9-16(19(27-2)8-15(18)22)23-10-14-17(24)7-6-12-11-4-3-5-13(11)21(25)28-20(12)14/h6-9,23-24H,3-5,10H2,1-2H3