[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H19ClN4O7 MolecularWeight: 474.85116

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H19ClN4O7/c1-21(2)20(30)24-15-5-3-4-6-16(15)25(21)17(27)11-33-18(28)10-23-19(29)12-7-13(22)9-14(8-12)26(31)32/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,30)