[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic 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] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-21(2)20(28)23-15-5-3-4-6-16(15)24(21)18(26)12-31-19(27)10-8-13-7-9-14(22)17(11-13)25(29)30/h3-11H,12H2,1-2H3,(H,23,28)/b10-8+