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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15-18(16(2)25(23-15)17-9-5-4-6-10-17)13-24(3)14-21(27)22-19-11-7-8-12-20(19)26(28)29/h4-12H,13-14H2,1-3H3,(H,22,27)/p+1