O1-ethyl O3-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[4-(2-methoxy-2-oxo-ethyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: 1-O-ethyl 3-O-[4-(2-methoxy-2-oxoethyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C19H17NO8 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO8/c1-3-27-18(22)13-9-14(11-15(10-13)20(24)25)19(23)28-16-6-4-12(5-7-16)8-17(21)26-2/h4-7,9-11H,3,8H2,1-2H3