4-azanyl-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one Openeye Name: 4-amino-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one CAS Name: 4-amino-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one Traditional Name: 4-amino-3-(butylamino)-6-(4-nitrophenyl)-1,2,4-triazin-5-one Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(C(=O)N1N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(C(=O)N1N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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