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

Systemtic Name: 4-[(5E)-5-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]-N-(2-nitrophenyl)butanamide Openeye Name: 4-[(5E)-5-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]-N-(2-nitrophenyl)butanamide CAS Name: 4-[(5E)-5-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazol-3-yl]-N-(2-nitrophenyl)butanamide IUPAC Name: 4-[(5E)-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]-N-(2-nitrophenyl)butanamide Traditional Name: 4-[(5E)-5-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-3-yl]-N-(2-nitrophenyl)butyramide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=C(NN2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\C=C(NN2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])/C=CC1=O

InChI

InChI=1S/C20H20N4O5/c1-29-19-11-13(9-10-18(19)25)16-12-14(22-23-16)5-4-8-20(26)21-15-6-2-3-7-17(15)24(27)28/h2-3,6-7,9-12,22-23H,4-5,8H2,1H3,(H,21,26)/b16-13+