methyl 2-[methyl-(phenylmethyl)amino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: methyl 2-[methyl-(phenylmethyl)amino]-5-nitro-thiophene-3-carboxylate Openeye Name: methyl 2-[benzyl(methyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[methyl-(phenylmethyl)amino]-5-nitro-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[benzyl(methyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[benzyl(methyl)amino]-5-nitro-thiophene-3-carboxylic acid methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14N2O4S/c1-15(9-10-6-4-3-5-7-10)13-11(14(17)20-2)8-12(21-13)16(18)19/h3-8H,9H2,1-2H3