8-chloranyl-1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 8-chloranyl-1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 8-chloro-1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 8-chloro-1-phenyl-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-2,3-benzodiazepin-4-one; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 8-chloro-1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 8-chloro-1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H22ClN3O.C4H4O4/c22-18-9-8-17-14-20(26)25(13-12-24-10-4-5-11-24)23-21(19(17)15-18)16-6-2-1-3-7-16;5-3(6)1-2-4(7)8/h1-3,6-9,15H,4-5,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-