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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-phenyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid (4-nitrobenzyl) ester Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5/c1-13-19-17(21(25)28-12-14-7-9-16(10-8-14)24(26)27)11-18(22-20(19)29-23-13)15-5-3-2-4-6-15/h2-11H,12H2,1H3