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

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[[(phenylmethyl)azaniumyl]methyl]chromen-7-olate Openeye Name: 8-[(benzylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[[(phenylmethyl)ammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 8-[(benzylazaniumyl)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-olate Traditional Name: 8-[(benzylammonio)methyl]-6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-olate Formula: C21H20ClNO5 MolecularWeight: 401.8402

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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=CC=C3)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-12-14-8-17(22)19(25)16(11-23-10-13-6-4-3-5-7-13)20(14)28-21(26)15(12)9-18(24)27-2/h3-8,23,25H,9-11H2,1-2H3