ethyl 5-azanyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylate CAS Name: 5-amino-1-(2-methyl-4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(2-methyl-4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-amino-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid ethyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4/c1-3-21-12(18)10-11(13)16(15-14-10)9-5-4-8(17(19)20)6-7(9)2/h4-6H,3,13H2,1-2H3