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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C17H13NO6S/c1-9-5-12-11(7-16(19)24-13(12)6-10(9)2)8-23-17(20)14-3-4-15(25-14)18(21)22/h3-7H,8H2,1-2H3