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

Systemtic Name: methyl 4-[[4-(3-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoate CAS Name: 4-[[[4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-8-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chloropyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoate Traditional Name: 4-[[4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino]benzoic acid methyl ester Formula: C22H18ClN3O4 MolecularWeight: 423.84902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CCO3)C4=C(C=CC=N4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CCO3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C22H18ClN3O4/c1-29-22(28)14-7-9-15(10-8-14)25-21(27)16-4-2-6-18-19(16)30-13-12-26(18)20-17(23)5-3-11-24-20/h2-11H,12-13H2,1H3,(H,25,27)