(3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c1-9-12(17-11-5-3-2-4-10(11)16-9)8-22-15(19)13-6-7-14(23-13)18(20)21/h2-7H,8H2,1H3