6-ethyl-4-(5-nitrofuran-2-yl)quinoline-2-carboxylic acid

Systemtic Name: 6-ethyl-4-(5-nitrofuran-2-yl)quinoline-2-carboxylic acid Openeye Name: 6-ethyl-4-(5-nitro-2-furyl)quinoline-2-carboxylic acid CAS Name: 6-ethyl-4-(5-nitro-2-furanyl)-2-quinolinecarboxylic acid IUPAC Name: 6-ethyl-4-(5-nitrofuran-2-yl)quinoline-2-carboxylic acid Traditional Name: 6-ethyl-4-(5-nitro-2-furyl)quinaldic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C3=CC=C(O3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C3=CC=C(O3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H12N2O5/c1-2-9-3-4-12-10(7-9)11(8-13(17-12)16(19)20)14-5-6-15(23-14)18(21)22/h3-8H,2H2,1H3,(H,19,20)