4-[2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CC(=O)NC3=CC=C(C=C3)C(=O)O)C=CC(=C2)N

Isomeric SMILES

C1COC2=C(N1CC(=O)NC3=CC=C(C=C3)C(=O)O)C=CC(=C2)N

InChI

InChI=1S/C17H17N3O4/c18-12-3-6-14-15(9-12)24-8-7-20(14)10-16(21)19-13-4-1-11(2-5-13)17(22)23/h1-6,9H,7-8,10,18H2,(H,19,21)(H,22,23)