1-ethyl-8-methoxy-6-nitro-5-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-8-methoxy-6-nitro-5-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-5-hydroxy-8-methoxy-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-5-hydroxy-8-methoxy-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-5-hydroxy-8-methoxy-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-5-hydroxy-4-keto-8-methoxy-6-nitro-quinoline-3-carboxylic acid Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=CC(=C21)OC)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=CC(=C21)OC)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C13H12N2O7/c1-3-14-5-6(13(18)19)11(16)9-10(14)8(22-2)4-7(12(9)17)15(20)21/h4-5,17H,3H2,1-2H3,(H,18,19)