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

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H23ClN5O3+ MolecularWeight: 428.89202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN5O3/c1-14-21(15(2)26(24-14)17-7-5-4-6-8-17)23-20(28)13-25(3)12-16-11-18(27(29)30)9-10-19(16)22/h4-11H,12-13H2,1-3H3,(H,23,28)/p+1