2-(4-nitrophenyl)carbonyloxyethyl 5-chloranyl-3-[2-(4-nitrophenyl)carbonyloxyethoxy]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: 2-(4-nitrophenyl)carbonyloxyethyl 5-chloranyl-3-[2-(4-nitrophenyl)carbonyloxyethoxy]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: 2-(4-nitrobenzoyl)oxyethyl 5-chloro-3-[2-(4-nitrobenzoyl)oxyethoxy]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-chloro-3-[2-[(4-nitrophenyl)-oxomethoxy]ethoxy]-2,3-dihydrobenzofuran-2-carboxylic acid 2-[(4-nitrophenyl)-oxomethoxy]ethyl ester IUPAC Name: 2-(4-nitrobenzoyl)oxyethyl 5-chloro-3-[2-(4-nitrobenzoyl)oxyethoxy]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-[2-(4-nitrobenzoyl)oxyethoxy]coumaran-2-carboxylic acid 2-(4-nitrobenzoyl)oxyethyl ester Formula: C27H21ClN2O12 MolecularWeight: 600.91484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCOC2C(OC3=C2C=C(C=C3)Cl)C(=O)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCOC2C(OC3=C2C=C(C=C3)Cl)C(=O)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H21ClN2O12/c28-18-5-10-22-21(15-18)23(38-11-12-39-25(31)16-1-6-19(7-2-16)29(34)35)24(42-22)27(33)41-14-13-40-26(32)17-3-8-20(9-4-17)30(36)37/h1-10,15,23-24H,11-14H2