4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H11N7O4 MolecularWeight: 377.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N7O4/c25-17(26)10-5-7-11(8-6-10)20-15-14(24(27)28)16(19-9-18-15)23-13-4-2-1-3-12(13)21-22-23/h1-9H,(H,25,26)(H,18,19,20)