5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitro-benzoic acid Openeye Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitro-benzoic acid CAS Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitrobenzoic acid IUPAC Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitrobenzoic acid Traditional Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitro-benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CC2=C1SC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-14(18)11-7-10(1-2-12(11)16(19)20)15-5-3-13-9(8-15)4-6-21-13/h1-2,4,6-7H,3,5,8H2,(H,17,18)