methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxidanylidene-quinolin-2-yl)-oxidanyl-methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxidanylidene-quinolin-2-yl)-oxidanyl-methyl]benzoate Openeye Name: methyl 4-[hydroxy-(1-methyl-7-nitro-4-oxo-2-quinolyl)methyl]-3-methoxy-benzoate CAS Name: 4-[hydroxy-(1-methyl-7-nitro-4-oxo-2-quinolinyl)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[hydroxy-(1-methyl-7-nitro-4-oxoquinolin-2-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[hydroxy-(4-keto-1-methyl-7-nitro-2-quinolyl)methyl]-3-methoxy-benzoic acid methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=C(C=C(C=C3)C(=O)OC)OC)O

Isomeric SMILES

CN1C(=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=C(C=C(C=C3)C(=O)OC)OC)O

InChI

InChI=1S/C20H18N2O7/c1-21-15-9-12(22(26)27)5-7-13(15)17(23)10-16(21)19(24)14-6-4-11(20(25)29-3)8-18(14)28-2/h4-10,19,24H,1-3H3