methyl 5-[methyl-(phenylmethyl)amino]-4-nitro-thiophene-2-carboxylate

Systemtic Name: methyl 5-[methyl-(phenylmethyl)amino]-4-nitro-thiophene-2-carboxylate Openeye Name: methyl 5-[benzyl(methyl)amino]-4-nitro-thiophene-2-carboxylate CAS Name: 5-[methyl-(phenylmethyl)amino]-4-nitro-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[benzyl(methyl)amino]-4-nitrothiophene-2-carboxylate Traditional Name: 5-[benzyl(methyl)amino]-4-nitro-thiophene-2-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)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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