2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(2,5-diethoxyphenyl)amine Formula: C18H18ClN5O5 MolecularWeight: 419.81902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O5/c1-3-28-14-9-10-16(29-4-2)15(11-14)20-17-18(24(26)27)21-22(23(17)25)13-7-5-12(19)6-8-13/h5-11,25H,3-4H2,1-2H3