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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c24-18(20-10-4-7-14-5-2-1-3-6-14)15-8-9-16(17(11-15)23(25)26)22-13-19-12-21-22/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,20,24)