4-bromanyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C20H18BrN5O4 MolecularWeight: 472.29202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18BrN5O4/c1-13(15-5-9-17(30-2)10-6-15)22-23-20(27)19-18(21)12-25(24-19)11-14-3-7-16(8-4-14)26(28)29/h3-10,12H,11H2,1-2H3,(H,23,27)/b22-13+