4-[[4-(3-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(3-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-8-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(3-chloropyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoic acid Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2N1C3=C(C=CC=N3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC2=C(C=CC=C2N1C3=C(C=CC=N3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16ClN3O4/c22-16-4-2-10-23-19(16)25-11-12-29-18-15(3-1-5-17(18)25)20(26)24-14-8-6-13(7-9-14)21(27)28/h1-10H,11-12H2,(H,24,26)(H,27,28)