N-(3-chloranyl-2-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C13H14ClN5O3 MolecularWeight: 323.73496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN5O3/c1-9-10(14)4-2-5-11(9)16-12(20)6-3-7-18-8-15-13(17-18)19(21)22/h2,4-5,8H,3,6-7H2,1H3,(H,16,20)