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

Systemtic Name: O1-methyl O3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[methyl(3-thenyl)amino]ethyl] ester O1-methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-18(8-11-3-4-27-10-11)15(20)9-26-17(22)13-5-12(16(21)25-2)6-14(7-13)19(23)24/h3-7,10H,8-9H2,1-2H3