5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)NN1)C=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c1-6-9(11(16)13-12-6)5-7-4-8(14(17)18)2-3-10(7)15/h2-5H,1H3,(H2,12,13,16)