O1-ethyl O3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-3-26-17(22)12-7-13(9-14(8-12)20(24)25)18(23)27-11-16(21)19(2)10-15-5-4-6-28-15/h4-9H,3,10-11H2,1-2H3