methyl 2-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H13N7O4 MolecularWeight: 391.34032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H13N7O4/c1-29-18(26)11-6-2-3-7-12(11)21-16-15(25(27)28)17(20-10-19-16)24-14-9-5-4-8-13(14)22-23-24/h2-10H,1H3,(H,19,20,21)