N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-ethoxy-3-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-4-29-20-11-10-16(12-19(20)25(27)28)21(26)22-13-18-14(2)23-24(15(18)3)17-8-6-5-7-9-17/h5-12H,4,13H2,1-3H3,(H,22,26)