2-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-1-nitro-guanidine

Systemtic Name: 2-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-1-nitro-guanidine Openeye Name: 2-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-1-nitro-guanidine CAS Name: 2-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-1-nitroguanidine IUPAC Name: 2-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1-nitroguanidine Traditional Name: 2-[(E)-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-1-nitro-guanidine Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN=C(N)N[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/N=C(N)N[N+](=O)[O-])/C(=N2)C)C

InChI

InChI=1S/C14H16N6O3/c1-8-4-5-11(6-9(8)2)19-13(21)12(10(3)17-19)7-16-14(15)18-20(22)23/h4-7H,1-3H3,(H3,15,16,18)/b12-7+