(4-nitrophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (4-nitrophenyl) 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid (4-nitrophenyl) ester Formula: C18H11N3O5S MolecularWeight: 381.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O5S/c1-10-16-13(18(22)25-12-6-4-11(5-7-12)21(23)24)9-14(15-3-2-8-27-15)19-17(16)26-20-10/h2-9H,1H3