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

Systemtic Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c1-14-18(15(2)26(25-14)17-7-5-4-6-8-17)12-23-21(28)13-24-22(29)16-9-10-20(32-3)19(11-16)27(30)31/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,29)