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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C16H10ClNO6S MolecularWeight: 379.7717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO6S/c1-8-4-12-10(6-11(8)17)9(5-15(19)24-12)7-23-16(20)13-2-3-14(25-13)18(21)22/h2-6H,7H2,1H3