3-[5-(3-hydroxyphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid

Systemtic Name: 3-[5-(3-hydroxyphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[5-(3-hydroxyphenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2)CCC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2)CCC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H16N2O4/c21-12-5-3-4-11(10-12)17-13-6-1-2-7-14(13)20-18(24)15(19-17)8-9-16(22)23/h1-7,10,15,21H,8-9H2,(H,20,24)(H,22,23)