methyl (3Z)-3-[(Z)-(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazinylidene]butanoate

Systemtic Name: methyl (3Z)-3-[(Z)-(7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazinylidene]butanoate Openeye Name: methyl (3Z)-3-[(Z)-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazono]butanoate CAS Name: (3Z)-3-[(Z)-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazinylidene]butanoic acid methyl ester IUPAC Name: methyl (3Z)-3-[(Z)-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazinylidene]butanoate Traditional Name: (3Z)-3-[(Z)-(7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)hydrazono]butyric acid methyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O)CC(=O)OC

Isomeric SMILES

C/C(=N/N=C\1/CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O)/CC(=O)OC

InChI

InChI=1S/C20H19ClN4O3/c1-13(10-19(26)28-2)23-24-18-12-25(27)20(14-6-4-3-5-7-14)16-11-15(21)8-9-17(16)22-18/h3-9,11,27H,10,12H2,1-2H3/b23-13-,24-18-