(3-chloranyl-4-methyl-quinolin-2-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O4S/c1-9-10-4-2-3-5-11(10)18-12(15(9)17)8-23-16(20)13-6-7-14(24-13)19(21)22/h2-7H,8H2,1H3