(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H17NO6S MolecularWeight: 387.40638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H17NO6S/c1-10(2)13-8-14-12(7-18(21)26-15(14)6-11(13)3)9-25-19(22)16-4-5-17(27-16)20(23)24/h4-8,10H,9H2,1-3H3