N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]methylideneamino]-5-chloranyl-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]methylideneamino]-5-chloranyl-2-oxidanyl-benzamide Openeye Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]methyleneamino]-5-chloro-2-hydroxy-benzamide CAS Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]-5-chloro-2-hydroxybenzamide IUPAC Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]-5-chloro-2-hydroxybenzamide Traditional Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methyl-benzylidene]amino]-5-chloro-2-hydroxy-benzamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NNC(=O)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C=N/NC(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C21H20ClN5O2/c1-15-12-18(27(10-2-8-23)11-3-9-24)6-4-16(15)14-25-26-21(29)19-13-17(22)5-7-20(19)28/h4-7,12-14,28H,2-3,10-11H2,1H3,(H,26,29)/b25-14+