4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C14H9N5O5 MolecularWeight: 327.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NNC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C=CC1=C2NNC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O5/c20-12-3-1-8(2-4-12)13-15-14(17-16-13)9-5-10(18(21)22)7-11(6-9)19(23)24/h1-7,16H,(H,15,17)