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

Systemtic Name: 2-(3,5-dinitrothiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(3,5-dinitro-2-thienyl)quinoline-4-carboxylic acid CAS Name: 2-(3,5-dinitro-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,5-dinitrothiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(3,5-dinitro-2-thienyl)cinchoninic acid Formula: C14H7N3O6S MolecularWeight: 345.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H7N3O6S/c18-14(19)8-5-10(15-9-4-2-1-3-7(8)9)13-11(16(20)21)6-12(24-13)17(22)23/h1-6H,(H,18,19)