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

Systemtic Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15-20(16(2)26(24-15)18-9-5-4-6-10-18)14-25(3)21(28)13-23-22(29)17-8-7-11-19(12-17)27(30)31/h4-12H,13-14H2,1-3H3,(H,23,29)