[4-[(E)-[2-(4-bromanylnaphthalen-1-yl)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-[2-(4-bromanylnaphthalen-1-yl)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-[[2-(4-bromo-1-naphthyl)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-[[2-(4-bromo-1-naphthalenyl)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-[[2-(4-bromo-1-naphthyl)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C28H22BrN3O6 MolecularWeight: 576.39478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=C(C3=CC=CC=C23)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=C(C3=CC=CC=C23)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H22BrN3O6/c1-2-37-26-15-18(7-14-25(26)38-28(34)19-8-11-21(12-9-19)32(35)36)17-30-31-27(33)16-20-10-13-24(29)23-6-4-3-5-22(20)23/h3-15,17H,2,16H2,1H3,(H,31,33)/b30-17+