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

Systemtic Name: 3-nitro-N-(2-phenylbutyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-(2-phenylbutyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(2-phenylbutyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(2-phenylbutyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(2-phenylbutyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3/c1-2-14(15-6-4-3-5-7-15)11-21-19(25)16-8-9-17(18(10-16)24(26)27)23-13-20-12-22-23/h3-10,12-14H,2,11H2,1H3,(H,21,25)