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

Systemtic Name: methyl 3-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-8-9(2)25-15(13(8)7-17)18-14(20)10-4-11(16(21)24-3)6-12(5-10)19(22)23/h4-6H,1-3H3,(H,18,20)