N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2-nitro-benzamide

Systemtic Name: N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2-nitro-benzamide Openeye Name: N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methyleneamino]-2-nitro-benzamide CAS Name: N-[(E)-[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methylideneamino]-2-nitrobenzamide IUPAC Name: N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2-nitrobenzamide Traditional Name: N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzylidene]amino]-2-nitro-benzamide Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2/C=N/NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N5O6/c1-29-17-11-18(30-2)23-20(22-17)31-16-10-6-3-7-13(16)12-21-24-19(26)14-8-4-5-9-15(14)25(27)28/h3-12H,1-2H3,(H,24,26)/b21-12+