methyl 3-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(dimethylamino)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CSC=C2

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CSC=C2

InChI

InChI=1S/C17H19N3O5S/c1-19(2)15(11-4-5-26-10-11)9-18-16(21)12-6-13(17(22)25-3)8-14(7-12)20(23)24/h4-8,10,15H,9H2,1-3H3,(H,18,21)