ethyl 2-[5-azanyl-1-(4-nitrophenyl)carbonyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-azanyl-1-(4-nitrophenyl)carbonyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-amino-1-(4-nitrobenzoyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-amino-1-[(4-nitrophenyl)-oxomethyl]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-amino-1-(4-nitrobenzoyl)-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-amino-1-(4-nitrobenzoyl)-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=N1)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN(C(=N1)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-2-23-11(19)7-10-15-13(14)17(16-10)12(20)8-3-5-9(6-4-8)18(21)22/h3-6H,2,7H2,1H3,(H2,14,15,16)