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

Systemtic Name: 5-[methyl-(phenylmethyl)amino]-4-nitro-thiophene-2-carboxamide Openeye Name: 5-[benzyl(methyl)amino]-4-nitro-thiophene-2-carboxamide CAS Name: 5-[methyl-(phenylmethyl)amino]-4-nitro-2-thiophenecarboxamide IUPAC Name: 5-[benzyl(methyl)amino]-4-nitrothiophene-2-carboxamide Traditional Name: 5-[benzyl(methyl)amino]-4-nitro-thiophene-2-carboxamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c1-15(8-9-5-3-2-4-6-9)13-10(16(18)19)7-11(20-13)12(14)17/h2-7H,8H2,1H3,(H2,14,17)