(3-propan-2-ylphenyl) 3-nitro-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3-propan-2-ylphenyl) 3-nitro-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3-isopropylphenyl) 3-nitro-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 3-nitro-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid m-cumenyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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