(5-methyl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (5-methylisoxazol-3-yl)methyl ester Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c1-8-4-10(15-21-8)7-20-14(17)13-6-9-5-11(16(18)19)2-3-12(9)22-13/h2-6H,7H2,1H3