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

Systemtic Name: methyl 4-nitro-5-[(phenylmethyl)amino]thiophene-2-carboxylate Openeye Name: methyl 5-(benzylamino)-4-nitro-thiophene-2-carboxylate CAS Name: 4-nitro-5-[(phenylmethyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylamino)-4-nitrothiophene-2-carboxylate Traditional Name: 5-(benzylamino)-4-nitro-thiophene-2-carboxylic acid methyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-19-13(16)11-7-10(15(17)18)12(20-11)14-8-9-5-3-2-4-6-9/h2-7,14H,8H2,1H3