(4Z)-2-bromanyl-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-2-bromanyl-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-bromo-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-bromo-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-bromo-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-bromo-6-nitro-4-[(1,2,4-triazol-4-ylamino)methylene]cyclohexa-2,5-dien-1-one Formula: C9H6BrN5O3 MolecularWeight: 312.07964

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C(=CC1=CNN2C=NN=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C\1=C(C(=O)C(=C/C1=C\NN2C=NN=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C9H6BrN5O3/c10-7-1-6(2-8(9(7)16)15(17)18)3-13-14-4-11-12-5-14/h1-5,13H/b6-3+