8-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]-6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]-6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[(1,3-benzodioxol-5-ylmethylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[(1,3-benzodioxol-5-ylmethylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[(piperonylammonio)methyl]chromen-7-olate Formula: C22H20ClNO7 MolecularWeight: 445.8497

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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=CC4=C(C=C3)OCO4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=CC4=C(C=C3)OCO4)CC(=O)OC

InChI

InChI=1S/C22H20ClNO7/c1-11-13-6-16(23)20(26)15(21(13)31-22(27)14(11)7-19(25)28-2)9-24-8-12-3-4-17-18(5-12)30-10-29-17/h3-6,24,26H,7-10H2,1-2H3