5-[(4-butan-2-yl-2-nitro-phenyl)amino]-2H-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[(4-butan-2-yl-2-nitro-phenyl)amino]-2H-1,2,3-triazole-4-carboxamide Openeye Name: 5-(2-nitro-4-sec-butyl-anilino)-2H-triazole-4-carboxamide CAS Name: 5-(4-butan-2-yl-2-nitroanilino)-2H-triazole-4-carboxamide IUPAC Name: 5-(4-butan-2-yl-2-nitroanilino)-2H-triazole-4-carboxamide Traditional Name: 5-(2-nitro-4-sec-butyl-anilino)-2H-triazole-4-carboxamide Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)NC2=NNN=C2C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)NC2=NNN=C2C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3/c1-3-7(2)8-4-5-9(10(6-8)19(21)22)15-13-11(12(14)20)16-18-17-13/h4-7H,3H2,1-2H3,(H2,14,20)(H2,15,16,17,18)