dimethyl 2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)propanedioate

Systemtic Name: dimethyl 2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)propanedioate Openeye Name: dimethyl 2-(3-nitro-2-oxo-1-phenyl-4-quinolyl)propanedioate CAS Name: 2-(3-nitro-2-oxo-1-phenyl-4-quinolinyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate Traditional Name: 2-(2-keto-3-nitro-1-phenyl-4-quinolyl)malonic acid dimethyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N2O7/c1-28-19(24)16(20(25)29-2)15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)18(23)17(15)22(26)27/h3-11,16H,1-2H3