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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-12(19-20-17(21)14-3-2-8-18-10-14)4-5-13-6-7-15-16(9-13)23-11-22-15/h2-10H,11H2,1H3,(H,20,21)/b5-4+,19-12+