N-[(E)-C-[4-[bis(2-cyanoethyl)amino]-2-methoxy-phenyl]-N-phenylazanyl-carbonimidoyl]imino-5-bromanyl-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-C-[4-[bis(2-cyanoethyl)amino]-2-methoxy-phenyl]-N-phenylazanyl-carbonimidoyl]imino-5-bromanyl-2-oxidanyl-benzamide Openeye Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methoxy-phenyl]carbonimidoyl]imino-5-bromo-2-hydroxy-benzamide CAS Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]-(phenylhydrazinylidene)methyl]imino-5-bromo-2-hydroxybenzamide IUPAC Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methoxyphenyl]carbonimidoyl]imino-5-bromo-2-hydroxybenzamide Traditional Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methoxy-phenyl]carbonimidoyl]imino-5-bromo-2-hydroxy-benzamide Formula: C27H24BrN7O3 MolecularWeight: 574.42856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC2=CC=CC=C2)N=NC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C(=N\NC2=CC=CC=C2)/N=NC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C27H24BrN7O3/c1-38-25-18-21(35(15-5-13-29)16-6-14-30)10-11-22(25)26(32-31-20-7-3-2-4-8-20)33-34-27(37)23-17-19(28)9-12-24(23)36/h2-4,7-12,17-18,31,36H,5-6,15-16H2,1H3/b32-26+,34-33?