4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(5-aminotetrazol-1-yl)amino]methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(5-amino-1-tetrazolyl)amino]methylidene]-2-iodo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(5-aminotetrazol-1-yl)amino]methylidene]-2-iodo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(5-aminotetrazol-1-yl)amino]methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C9H9IN6O2 MolecularWeight: 360.11123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NN=N2)N)C=C(C1=O)I

Isomeric SMILES

COC1=CC(=CNN2C(=NN=N2)N)C=C(C1=O)I

InChI

InChI=1S/C9H9IN6O2/c1-18-7-3-5(2-6(10)8(7)17)4-12-16-9(11)13-14-15-16/h2-4,12H,1H3,(H2,11,13,15)