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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

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