4-[2-(6-azanyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(6-azanyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(6-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(6-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H21N3O4/c1-19(2)11-22(15-9-13(20)5-8-16(15)26-19)10-17(23)21-14-6-3-12(4-7-14)18(24)25/h3-9H,10-11,20H2,1-2H3,(H,21,23)(H,24,25)