1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(3-nitrophenyl)pyrazole-4-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C20H17N5O4/c1-29-17-8-6-15(7-9-17)22-20(26)18-13-24(11-3-10-21)23-19(18)14-4-2-5-16(12-14)25(27)28/h2,4-9,12-13H,3,11H2,1H3,(H,22,26)