methyl 4-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylamino]benzoate hydrochloride

Systemtic Name: methyl 4-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylamino]benzoate hydrochloride Openeye Name: methyl 4-[(3-hydroxy-6-oxo-benzo[c]chromen-4-yl)methylamino]benzoate hydrochloride CAS Name: 4-[(3-hydroxy-6-oxo-4-benzo[c][1]benzopyranyl)methylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(3-hydroxy-6-oxobenzo[c]chromen-4-yl)methylamino]benzoate hydrochloride Traditional Name: 4-[(3-hydroxy-6-keto-benzo[c]chromen-4-yl)methylamino]benzoic acid methyl ester hydrochloride Formula: C22H18ClNO5 MolecularWeight: 411.83502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O.Cl

InChI

InChI=1S/C22H17NO5.ClH/c1-27-21(25)13-6-8-14(9-7-13)23-12-18-19(24)11-10-16-15-4-2-3-5-17(15)22(26)28-20(16)18;/h2-11,23-24H,12H2,1H3;1H