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

Systemtic Name: 3-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[8-chloro-5-(3-hydroxyphenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(C(=O)NC3=C2C=CC(=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(C(=O)NC3=C2C=CC(=C3)Cl)CCC(=O)O

InChI

InChI=1S/C18H15ClN2O4/c19-11-4-5-13-15(9-11)21-18(25)14(6-7-16(23)24)20-17(13)10-2-1-3-12(22)8-10/h1-5,8-9,14,22H,6-7H2,(H,21,25)(H,23,24)