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

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[(pyridin-4-ylmethylazaniumyl)methyl]chromen-7-olate Openeye Name: 6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-8-[(4-pyridylmethylammonio)methyl]chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(pyridin-4-ylmethylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(pyridin-4-ylmethylazaniumyl)methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[(4-pyridylmethylammonio)methyl]chromen-7-olate Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=CC=NC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=CC=NC=C3)CC(=O)OC

InChI

InChI=1S/C20H19ClN2O5/c1-11-13-7-16(21)18(25)15(10-23-9-12-3-5-22-6-4-12)19(13)28-20(26)14(11)8-17(24)27-2/h3-7,23,25H,8-10H2,1-2H3