N-[4-bromanyl-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-bromanyl-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-bromo-2-[[(E)-3-pyridylmethyleneamino]carbamoyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-bromo-2-[oxo-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-bromo-2-[[(E)-pyridin-3-ylmethylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-bromo-2-[[(E)-3-pyridylmethyleneamino]carbamoyl]phenyl]-3,4-dimethoxy-benzamide Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NN=CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)N/N=C/C3=CN=CC=C3)OC

InChI

InChI=1S/C22H19BrN4O4/c1-30-19-8-5-15(10-20(19)31-2)21(28)26-18-7-6-16(23)11-17(18)22(29)27-25-13-14-4-3-9-24-12-14/h3-13H,1-2H3,(H,26,28)(H,27,29)/b25-13+