N-[(3E)-3-(1,2-dihydropyrazol-3-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanamide

Systemtic Name: N-[(3E)-3-(1,2-dihydropyrazol-3-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanamide Openeye Name: N-[(3E)-3-(1,2-dihydropyrazol-3-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]butanamide CAS Name: N-[(3E)-3-(1,2-dihydropyrazol-3-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]butanamide IUPAC Name: N-[(3E)-3-(1,2-dihydropyrazol-3-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]butanamide Traditional Name: N-[(3E)-4-keto-3-(3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]butyramide Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C2C=CNN2)C(=O)C=C1

Isomeric SMILES

CCCC(=O)NC1=C/C(=C\2/C=CNN2)/C(=O)C=C1

InChI

InChI=1S/C13H15N3O2/c1-2-3-13(18)15-9-4-5-12(17)10(8-9)11-6-7-14-16-11/h4-8,14,16H,2-3H2,1H3,(H,15,18)/b11-10+