(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H12N2O7S MolecularWeight: 388.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H12N2O7S/c1-9-11(18-16(26-9)15-3-2-4-27-15)7-23-17(20)10-5-13-14(25-8-24-13)6-12(10)19(21)22/h2-6H,7-8H2,1H3