N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C14H16ClN5O5 MolecularWeight: 369.76034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C14H16ClN5O5/c1-24-11-7-10(12(25-2)6-9(11)15)17-13(21)4-3-5-19-8-16-14(18-19)20(22)23/h6-8H,3-5H2,1-2H3,(H,17,21)