6-methoxy-1-[3-(4-nitrophenoxy)propyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-methoxy-1-[3-(4-nitrophenoxy)propyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-methoxy-1-[3-(4-nitrophenoxy)propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-methoxy-1-[3-(4-nitrophenoxy)propyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-methoxy-1-[3-(4-nitrophenoxy)propyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-6-methoxy-1-[3-(4-nitrophenoxy)propyl]quinoline-3-carboxylic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)CCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)CCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-28-15-7-8-18-16(11-15)19(23)17(20(24)25)12-21(18)9-2-10-29-14-5-3-13(4-6-14)22(26)27/h3-8,11-12H,2,9-10H2,1H3,(H,24,25)