(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-ammonium Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N5O3/c1-15-10-11-19(27(29)30)12-21(15)23-22(28)14-25(4)13-20-16(2)24-26(17(20)3)18-8-6-5-7-9-18/h5-12H,13-14H2,1-4H3,(H,23,28)/p+1