6-(benzotriazol-1-yl)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C18H14ClN7O4 MolecularWeight: 427.80126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl)OC

InChI

InChI=1S/C18H14ClN7O4/c1-29-14-8-15(30-2)12(7-10(14)19)22-17-16(26(27)28)18(21-9-20-17)25-13-6-4-3-5-11(13)23-24-25/h3-9H,1-2H3,(H,20,21,22)