N-(5-methyl-2-oxidanyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(5-methyl-2-oxidanyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(2-hydroxy-5-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(2-hydroxy-5-methyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4/c1-9-4-5-11(19)10(7-9)15-12(20)3-2-6-17-8-14-13(16-17)18(21)22/h4-5,7-8,19H,2-3,6H2,1H3,(H,15,20)