[2-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-4-nitro-phenyl] 3-bromanylbenzoate

Systemtic Name: [2-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-4-nitro-phenyl] 3-bromanylbenzoate Openeye Name: [2-[(E)-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]hydrazono]methyl]-4-nitro-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(E)-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(E)-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]hydrazono]methyl]-4-nitro-phenyl] ester Formula: C28H19BrN4O6S MolecularWeight: 619.44266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H19BrN4O6S/c29-21-9-4-8-19(14-21)28(36)39-25-12-11-22(33(37)38)15-20(25)17-30-32-27(35)24(16-23-10-5-13-40-23)31-26(34)18-6-2-1-3-7-18/h1-17H,(H,31,34)(H,32,35)/b24-16+,30-17+