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

Systemtic Name: 4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-6-bromanyl-2-methoxy-3-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(5-aminotetrazol-1-yl)amino]methylene]-6-bromo-2-methoxy-3-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(5-amino-1-tetrazolyl)amino]methylidene]-6-bromo-2-methoxy-3-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(5-aminotetrazol-1-yl)amino]methylidene]-6-bromo-2-methoxy-3-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[(5-aminotetrazol-1-yl)amino]methylene]-6-bromo-2-methoxy-3-nitro-cyclohexa-2,5-dien-1-one Formula: C9H8BrN7O4 MolecularWeight: 358.10832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CNN2C(=NN=N2)N)C=C(C1=O)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CNN2C(=NN=N2)N)C=C(C1=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C9H8BrN7O4/c1-21-8-6(17(19)20)4(2-5(10)7(8)18)3-12-16-9(11)13-14-15-16/h2-3,12H,1H3,(H2,11,13,15)