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

Systemtic Name: N-(3-methylbutyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-isopentyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(3-methylbutyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(3-methylbutyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-isoamyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c1-10(2)5-6-16-14(20)11-3-4-12(13(7-11)19(21)22)18-9-15-8-17-18/h3-4,7-10H,5-6H2,1-2H3,(H,16,20)