methyl 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]ethanoate

Systemtic Name: methyl 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]ethanoate Openeye Name: methyl 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]acetate CAS Name: 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]acetate Traditional Name: 2-[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]acetic acid methyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3CC(=O)OC

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3CC(=O)OC

InChI

InChI=1S/C18H16N4O4/c1-21-18(15-6-4-3-5-13(15)11-16(23)26-2)19-17(20-21)12-7-9-14(10-8-12)22(24)25/h3-10H,11H2,1-2H3