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

Systemtic Name: 3-nitro-N-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4-isopropylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-p-cumenyl-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c1-12(2)13-3-6-15(7-4-13)21-18(24)14-5-8-16(17(9-14)23(25)26)22-11-19-10-20-22/h3-12H,1-2H3,(H,21,24)