1-[4-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-3-nitro-phenyl]ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CS2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-11(20)12-6-7-13(14(9-12)19(21)22)17-10-15(18(2)3)16-5-4-8-23-16/h4-9,15,17H,10H2,1-3H3/t15-/m1/s1