4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-dione Openeye Name: 4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-dione CAS Name: 4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-dione IUPAC Name: 4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-dione Traditional Name: 4-butyl-2-(4-nitrophenyl)-1,2,4-triazine-3,5-quinone Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-2-3-8-15-12(18)9-14-16(13(15)19)10-4-6-11(7-5-10)17(20)21/h4-7,9H,2-3,8H2,1H3