3-[8-chloranyl-5-(3-hydroxyphenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid

Systemtic Name: 3-[8-chloranyl-5-(3-hydroxyphenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[8-chloro-5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[8-chloro-5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[8-chloro-5-(3-hydroxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[8-chloro-5-(3-hydroxyphenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]propionic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CCC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C19H17ClN2O4/c1-22-16-10-12(20)5-6-14(16)18(11-3-2-4-13(23)9-11)21-15(19(22)26)7-8-17(24)25/h2-6,9-10,15,23H,7-8H2,1H3,(H,24,25)