N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6,7-dimethoxy-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6,7-dimethoxy-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6,7-dimethoxy-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-2-hydroxy-4-keto-6,7-dimethoxy-N-piperonyl-quinoline-3-carboxamide Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC=C)O)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC=C)O)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H22N2O7/c1-4-7-25-15-10-18(30-3)17(29-2)9-14(15)21(26)20(23(25)28)22(27)24-11-13-5-6-16-19(8-13)32-12-31-16/h4-6,8-10,28H,1,7,11-12H2,2-3H3,(H,24,27)