N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-1-methyl-3-oxo-propylidene]amino]pyridine-3-carboxamide CAS Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-3-keto-1-methyl-propylidene]amino]nicotinamide Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CN=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CN=CC=C1)/CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N4O4/c1-11(20-21-17(23)12-3-2-6-18-9-12)7-16(22)19-13-4-5-14-15(8-13)25-10-24-14/h2-6,8-9H,7,10H2,1H3,(H,19,22)(H,21,23)/b20-11+