1-(3-nitrophenyl)ethyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: 1-(3-nitrophenyl)ethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-(3-nitrophenyl)ethyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H14N4O4/c1-12(14-3-2-4-16(9-14)21(23)24)25-17(22)13-5-7-15(8-6-13)20-11-18-10-19-20/h2-12H,1H3