6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[(propylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[(propylazaniumyl)methyl]chromen-7-olate Openeye Name: 6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-8-[(propylammonio)methyl]chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(propylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(propylazaniumyl)methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[(propylammonio)methyl]chromen-7-olate Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=C2C(=CC(=C1[O-])Cl)C(=C(C(=O)O2)CC(=O)OC)C

Isomeric SMILES

CCC[NH2+]CC1=C2C(=CC(=C1[O-])Cl)C(=C(C(=O)O2)CC(=O)OC)C

InChI

InChI=1S/C17H20ClNO5/c1-4-5-19-8-12-15(21)13(18)6-10-9(2)11(7-14(20)23-3)17(22)24-16(10)12/h6,19,21H,4-5,7-8H2,1-3H3