2-methylbutane; phenyl 4-azanyl-3-(dimethylamino)-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: 2-methylbutane; phenyl 4-azanyl-3-(dimethylamino)-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: 2-methylbutane; phenyl 4-amino-3-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-amino-3-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester; 2-methylbutane IUPAC Name: 2-methylbutane; phenyl 4-amino-3-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-amino-3-(dimethylamino)-5-keto-1,2,4-triazole-1-carboxylic acid phenyl ester; isopentane Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C.CN(C)C1=NN(C(=O)N1N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)C.CN(C)C1=NN(C(=O)N1N)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H13N5O3.C5H12/c1-14(2)9-13-16(10(17)15(9)12)11(18)19-8-6-4-3-5-7-8;1-4-5(2)3/h3-7H,12H2,1-2H3;5H,4H2,1-3H3