3-ethoxy-4-methyl-2-(4-nitrophenyl)-5-oxidanylidene-3H-1,2,4-triazine-6-carbonitrile

Systemtic Name: 3-ethoxy-4-methyl-2-(4-nitrophenyl)-5-oxidanylidene-3H-1,2,4-triazine-6-carbonitrile Openeye Name: 3-ethoxy-4-methyl-2-(4-nitrophenyl)-5-oxo-3H-1,2,4-triazine-6-carbonitrile CAS Name: 3-ethoxy-4-methyl-2-(4-nitrophenyl)-5-oxo-3H-1,2,4-triazine-6-carbonitrile IUPAC Name: 3-ethoxy-4-methyl-2-(4-nitrophenyl)-5-oxo-3H-1,2,4-triazine-6-carbonitrile Traditional Name: 3-ethoxy-5-keto-4-methyl-2-(4-nitrophenyl)-3H-1,2,4-triazine-6-carbonitrile Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C13H13N5O4/c1-3-22-13-16(2)12(19)11(8-14)15-17(13)9-4-6-10(7-5-9)18(20)21/h4-7,13H,3H2,1-2H3