2-[3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C10H7ClN4O4 MolecularWeight: 282.63998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NNC(=N2)CC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NNC(=N2)CC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H7ClN4O4/c11-6-2-1-5(3-7(6)15(18)19)10-12-8(13-14-10)4-9(16)17/h1-3H,4H2,(H,16,17)(H,12,13,14)