4-(1,3,3-trimethyl-2-oxidanylidene-1,4-benzodiazepin-5-yl)benzoic acid

Systemtic Name: 4-(1,3,3-trimethyl-2-oxidanylidene-1,4-benzodiazepin-5-yl)benzoic acid Openeye Name: 4-(1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-(1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-5-yl)benzoic acid IUPAC Name: 4-(1,3,3-trimethyl-2-oxo-1,4-benzodiazepin-5-yl)benzoic acid Traditional Name: 4-(2-keto-1,3,3-trimethyl-1,4-benzodiazepin-5-yl)benzoic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1(C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C19H18N2O3/c1-19(2)18(24)21(3)15-7-5-4-6-14(15)16(20-19)12-8-10-13(11-9-12)17(22)23/h4-11H,1-3H3,(H,22,23)