O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-nitrophenyl)carbonylcyclobutene-1,2,3-tricarboxylate

Systemtic Name: O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-nitrophenyl)carbonylcyclobutene-1,2,3-tricarboxylate Openeye Name: O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-nitrobenzoyl)cyclobutene-1,2,3-tricarboxylate CAS Name: (3S,4S)-4-[(4-nitrophenyl)-oxomethyl]cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester IUPAC Name: 1-O-ethyl 2-O,3-O-dimethyl (3S,4S)-4-(4-nitrobenzoyl)cyclobutene-1,2,3-tricarboxylate Traditional Name: (3S,4S)-4-(4-nitrobenzoyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester Formula: C18H17NO9 MolecularWeight: 391.32888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C([C@H]([C@@H]1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17NO9/c1-4-28-18(23)13-11(12(16(21)26-2)14(13)17(22)27-3)15(20)9-5-7-10(8-6-9)19(24)25/h5-8,11-12H,4H2,1-3H3/t11-,12-/m0/s1