N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxy-5-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-14-12-15(2)24(23-14)17-6-4-16(5-7-17)10-11-22-21(26)19-13-18(25(27)28)8-9-20(19)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)