2-[(E)-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(3-methoxy-5-nitro-4-oxidophenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(3-methoxy-5-nitro-4-oxido-phenyl)vinyl]cinchoninate Formula: C19H12N2O6-2 MolecularWeight: 364.30838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C19H14N2O6/c1-27-17-9-11(8-16(18(17)22)21(25)26)6-7-12-10-14(19(23)24)13-4-2-3-5-15(13)20-12/h2-10,22H,1H3,(H,23,24)/p-2/b7-6+