O1-methyl O3-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(tetralin-1-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(tetralin-1-ylamino)ethyl] ester O1-methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

InChI

InChI=1S/C21H20N2O7/c1-29-20(25)14-9-15(11-16(10-14)23(27)28)21(26)30-12-19(24)22-18-8-4-6-13-5-2-3-7-17(13)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,22,24)