ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-[(E)-dimethylaminomethyleneamino]-1-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-[(E)-dimethylaminomethyleneamino]-1-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])/N=C/N(C)C

InChI

InChI=1S/C14H16N6O4/c1-4-24-14(21)12-13(15-9-18(2)3)19(17-16-12)10-5-7-11(8-6-10)20(22)23/h5-9H,4H2,1-3H3/b15-9+