2-(8-carbonochloridoyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(8-carbonochloridoyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(8-chlorocarbonyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(8-carbonochloridoyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(8-carbonochloridoyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(8-chlorocarbonyl-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)Cl)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)Cl)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H19ClN2O4/c21-19(26)14-6-7-15-12-23(9-8-13-4-2-1-3-5-13)20(27)17(11-18(24)25)22-16(15)10-14/h1-7,10,17,22H,8-9,11-12H2,(H,24,25)