2-(3,5-dinitrothiophen-2-yl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3,5-dinitrothiophen-2-yl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3,5-dinitro-2-thienyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3,5-dinitro-2-thiophenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3,5-dinitrothiophen-2-yl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(3,5-dinitro-2-thienyl)-6-methyl-cinchoninic acid Formula: C15H9N3O6S MolecularWeight: 359.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O6S/c1-7-2-3-10-8(4-7)9(15(19)20)5-11(16-10)14-12(17(21)22)6-13(25-14)18(23)24/h2-6H,1H3,(H,19,20)