4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-9-16(24-12-5-2-10(3-6-12)19(22)23)15(18-17-9)13-7-4-11(20)8-14(13)21/h2-8,17-18,21H,1H3