5-methyl-4-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6/c1-10-15(9-11-8-14(21(26)27)6-7-16(11)22)17(23)19(18-10)12-2-4-13(5-3-12)20(24)25/h2-9,18H,1H3/b11-9+