ethyl 3-[(6-chloranylpyridin-3-yl)methylamino]-2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(6-chloranylpyridin-3-yl)methylamino]-2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(6-chloro-3-pyridyl)methylamino]-2-(1-methyl-3-nitro-2-oxo-4-quinolyl)-3-oxo-propanoate CAS Name: 3-[(6-chloro-3-pyridinyl)methylamino]-2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloropyridin-3-yl)methylamino]-2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)-3-oxopropanoate Traditional Name: 3-[(6-chloro-3-pyridyl)methylamino]-3-keto-2-(2-keto-1-methyl-3-nitro-4-quinolyl)propionic acid ethyl ester Formula: C21H19ClN4O6 MolecularWeight: 458.85176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-])C(=O)NCC3=CN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-])C(=O)NCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4O6/c1-3-32-21(29)17(19(27)24-11-12-8-9-15(22)23-10-12)16-13-6-4-5-7-14(13)25(2)20(28)18(16)26(30)31/h4-10,17H,3,11H2,1-2H3,(H,24,27)