2-[(4-bromophenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-(4-bromoanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(4-bromoanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-(4-bromoanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-(4-bromoanilino)-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C10H6BrN4O4- MolecularWeight: 326.08304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])Br

InChI

InChI=1S/C10H7BrN4O4/c11-5-1-3-6(4-2-5)12-10-13-8(16)7(15(18)19)9(17)14-10/h1-4H,(H3,12,13,14,16,17)/p-1