O3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(indan-5-ylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(indan-5-ylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H18N2O7/c1-28-19(24)14-7-15(10-17(9-14)22(26)27)20(25)29-11-18(23)21-16-6-5-12-3-2-4-13(12)8-16/h5-10H,2-4,11H2,1H3,(H,21,23)