2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(3-nitrophenyl)methyl]succinonitrile Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)[N+](=O)[O-])C(CC#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)[N+](=O)[O-])C(CC#N)C#N

InChI

InChI=1S/C15H13N5O3/c1-9-13(15(21)19-18-9)14(11(8-17)5-6-16)10-3-2-4-12(7-10)20(22)23/h2-4,7,11,14H,5H2,1H3,(H2,18,19,21)