3-[(7-chloranyl-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-[(7-chloranyl-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-[(7-chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[(7-chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 3-[(7-chloro-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-[(7-chloro-4-nitro-1,3-dihydrobenzofurazan-5-yl)imino]-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C13H6ClN4O6- MolecularWeight: 349.66294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=NC2=CC(=C3C(=C2[N+](=O)[O-])NON3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CC1=NC2=CC(=C3C(=C2[N+](=O)[O-])NON3)Cl)C(=O)[O-]

InChI

InChI=1S/C13H7ClN4O6/c14-7-4-8(12(18(22)23)11-10(7)16-24-17-11)15-5-1-2-9(19)6(3-5)13(20)21/h1-4,16-17H,(H,20,21)/p-1