N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[(2-chlorophenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-[(2-chlorophenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[(2-chlorophenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (2-chlorobenzyl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C16H14ClN5O4 MolecularWeight: 375.76646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NCC3=CC=CC=C3Cl)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NCC3=CC=CC=C3Cl)N2O)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O4/c1-26-13-8-6-12(7-9-13)20-19-16(22(24)25)15(21(20)23)18-10-11-4-2-3-5-14(11)17/h2-9,23H,10H2,1H3