6-(benzotriazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(3-bromophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(3-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C16H10BrN7O2 MolecularWeight: 412.2003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrN7O2/c17-10-4-3-5-11(8-10)20-15-14(24(25)26)16(19-9-18-15)23-13-7-2-1-6-12(13)21-22-23/h1-9H,(H,18,19,20)