1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine

Systemtic Name: 1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine Openeye Name: 1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine CAS Name: 1-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine IUPAC Name: 1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-(1,2,4-triazol-1-yl)methanimine Traditional Name: (E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]-(1,2,4-triazol-1-yl)amine Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C=NC=N2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C=NC=N2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N7O3/c1-24-14-3-2-11(5-17-20-10-15-9-18-20)4-12(14)7-19-8-13(6-16-19)21(22)23/h2-6,8-10H,7H2,1H3/b17-5+