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

Systemtic Name: methyl 2-[[2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-5-nitro-benzoate CAS Name: 2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-5-nitro-benzoic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC)C2=CC=CS2

Isomeric SMILES

CN(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC)C2=CC=CS2

InChI

InChI=1S/C16H19N3O4S/c1-18(2)14(15-5-4-8-24-15)10-17-13-7-6-11(19(21)22)9-12(13)16(20)23-3/h4-9,14,17H,10H2,1-3H3