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

Systemtic Name: 4-nitro-5-[(phenylmethyl)amino]thiophene-2-carboxamide Openeye Name: 5-(benzylamino)-4-nitro-thiophene-2-carboxamide CAS Name: 4-nitro-5-[(phenylmethyl)amino]-2-thiophenecarboxamide IUPAC Name: 5-(benzylamino)-4-nitrothiophene-2-carboxamide Traditional Name: 5-(benzylamino)-4-nitro-thiophene-2-carboxamide Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(S2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(S2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c13-11(16)10-6-9(15(17)18)12(19-10)14-7-8-4-2-1-3-5-8/h1-6,14H,7H2,(H2,13,16)