2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoate

Systemtic Name: 2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoate Openeye Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]-6-nitro-benzoate CAS Name: 2-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-6-nitrobenzoate Traditional Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]-6-nitro-benzoate Formula: C15H10N3O5S- MolecularWeight: 344.322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C15H11N3O5S/c1-7-8(2)24-14(10(7)6-16)17-13(19)9-4-3-5-11(18(22)23)12(9)15(20)21/h3-5H,1-2H3,(H,17,19)(H,20,21)/p-1