3-oxidanylidene-2-(5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid

Systemtic Name: 3-oxidanylidene-2-(5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid Openeye Name: 3-oxo-2-(5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid CAS Name: 3-oxo-2-(5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)-2-propenoic acid IUPAC Name: 3-oxo-2-(5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)prop-2-enoic acid Traditional Name: 3-keto-2-(5-keto-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)acrylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C(=C=O)C(=O)O

Isomeric SMILES

C1C(NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C(=C=O)C(=O)O

InChI

InChI=1S/C20H18N2O4/c23-13-16(20(25)26)18-12-22(11-10-14-6-2-1-3-7-14)19(24)15-8-4-5-9-17(15)21-18/h1-9,18,21H,10-12H2,(H,25,26)