N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(3,4-dichlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C12H11Cl2N5O3 MolecularWeight: 344.15344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C12H11Cl2N5O3/c13-9-4-3-8(6-10(9)14)16-11(20)2-1-5-18-7-15-12(17-18)19(21)22/h3-4,6-7H,1-2,5H2,(H,16,20)