N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[3-(3-nitrophenyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[3-(3-nitrophenyl)pyrazol-1-yl]ethanamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[3-(3-nitrophenyl)pyrazol-1-yl]acetamide CAS Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[3-(3-nitrophenyl)-1-pyrazolyl]acetamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-ethoxy-2-[3-(3-nitrophenyl)pyrazol-1-yl]acetamide Traditional Name: N-(4-cyanobenzyl)-2-ethoxy-2-[3-(3-nitrophenyl)pyrazol-1-yl]acetamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C#N)N2C=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C#N)N2C=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-2-30-21(20(27)23-14-16-8-6-15(13-22)7-9-16)25-11-10-19(24-25)17-4-3-5-18(12-17)26(28)29/h3-12,21H,2,14H2,1H3,(H,23,27)