O1-ethyl O3,O5-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate

Systemtic Name: O1-ethyl O3,O5-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate Openeye Name: O1-ethyl O3,O5-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate CAS Name: 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylic acid O1-ethyl ester O3,O5-dimethyl ester IUPAC Name: 1-O-ethyl 3-O,5-O-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate Traditional Name: 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylic acid O1-ethyl ester O3,O5-dimethyl ester Formula: C18H23NO8 MolecularWeight: 381.37712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO8/c1-4-27-16(21)10-12-18(17(22)26-3,11-9-15(20)25-2)13-5-7-14(8-6-13)19(23)24/h5-8H,4,9-12H2,1-3H3