[2-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-6-bromanyl-4-nitro-phenyl] benzoate

Systemtic Name: [2-[(E)-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]hydrazinylidene]methyl]-6-bromanyl-4-nitro-phenyl] benzoate Openeye Name: [2-[(E)-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]hydrazono]methyl]-6-bromo-4-nitro-phenyl] benzoate CAS Name: benzoic acid [2-[(E)-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] ester IUPAC Name: [2-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-6-bromo-4-nitrophenyl] benzoate Traditional Name: benzoic acid [2-[(E)-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]hydrazono]methyl]-6-bromo-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=CC(=CC(=C3OC(=O)C4=CC=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N/N=C/C3=CC(=CC(=C3OC(=O)C4=CC=CC=C4)Br)[N+](=O)[O-]

InChI

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