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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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