dimethyl 5-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H15N7O6 MolecularWeight: 449.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C(=O)OC

InChI

InChI=1S/C20H15N7O6/c1-32-19(28)11-7-12(20(29)33-2)9-13(8-11)23-17-16(27(30)31)18(22-10-21-17)26-15-6-4-3-5-14(15)24-25-26/h3-10H,1-2H3,(H,21,22,23)