3-chloranyl-8-methoxy-6-(4-methylpiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-chloranyl-8-methoxy-6-(4-methylpiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-chloro-8-methoxy-6-(4-methylpiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-chloro-8-methoxy-6-(4-methyl-1-piperazin-4-iumyl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-chloro-8-methoxy-6-(4-methylpiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-chloro-8-methoxy-6-(4-methylpiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H25ClN4O5 MolecularWeight: 472.9214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)Cl)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)Cl)OC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H21ClN4O.C4H4O4/c1-23-7-9-24(10-8-23)19-15-12-14(25-2)4-6-16(15)21-17-5-3-13(20)11-18(17)22-19;5-3(6)1-2-4(7)8/h3-6,11-12,22H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-