4-[2-(7-chloranyl-4-oxidanidyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(7-chloranyl-4-oxidanidyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(7-chloro-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-(7-chloro-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-(7-chloro-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-(7-chloro-2-keto-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl)ethoxy]-4-keto-butyric acid Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CCOC(=O)CCC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CCOC(=O)CCC(=O)O

InChI

InChI=1S/C21H19ClN2O6/c22-15-6-7-17-16(12-15)21(14-4-2-1-3-5-14)24(29)13-18(25)23(17)10-11-30-20(28)9-8-19(26)27/h1-7,12H,8-11,13H2,(H,26,27)