[4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)chromen-6-yl] pyridine-4-carboxylate

Systemtic Name: [4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)chromen-6-yl] pyridine-4-carboxylate Openeye Name: [4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)chromen-6-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)-1-benzopyran-6-yl] ester IUPAC Name: [4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)chromen-6-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-(1,3-benzodioxol-5-ylimino)-2-(4-methoxyphenyl)chromen-6-yl] ester Formula: C29H20N2O6 MolecularWeight: 492.4789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=CC4=C(C=C3)OCO4)C5=C(O2)C=CC(=C5)OC(=O)C6=CC=NC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=CC4=C(C=C3)OCO4)C5=C(O2)C=CC(=C5)OC(=O)C6=CC=NC=C6

InChI

InChI=1S/C29H20N2O6/c1-33-21-5-2-18(3-6-21)27-16-24(31-20-4-8-26-28(14-20)35-17-34-26)23-15-22(7-9-25(23)37-27)36-29(32)19-10-12-30-13-11-19/h2-16H,17H2,1H3