N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]pyridine-4-carboxamide CAS Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]isonicotinamide Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=NC=C1)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15N3O3/c1-12(19-20-17(21)14-6-8-18-9-7-14)2-3-13-4-5-15-16(10-13)23-11-22-15/h2-10H,11H2,1H3,(H,20,21)/b3-2+,19-12+