N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide Openeye Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide CAS Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide Formula: C20H16BrN5O4 MolecularWeight: 470.27614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN5O4/c1-30-18-8-7-13(11-17(18)26(28)29)19-14(12-25(24-19)10-4-9-22)20(27)23-16-6-3-2-5-15(16)21/h2-3,5-8,11-12H,4,10H2,1H3,(H,23,27)