methyl (2E)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-3-oxidanyl-propanoate

Systemtic Name: methyl (2E)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-3-oxidanyl-propanoate Openeye Name: methyl (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-3-hydroxy-propanoate CAS Name: (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-3-hydroxypropanoate Traditional Name: (2E)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-3-hydroxy-propionic acid methyl ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/CO

InChI

InChI=1S/C19H17ClN4O3/c1-27-19(26)16(11-25)23-24-17-10-21-18(12-5-3-2-4-6-12)14-9-13(20)7-8-15(14)22-17/h2-9,25H,10-11H2,1H3,(H,22,24)/b23-16+