N-(2-methoxy-5-nitro-phenyl)-3-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[2-(3-thienyl)pyrrolidin-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[2-(3-thiophenyl)-1-pyrrolidinyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[2-(3-thienyl)pyrrolidino]propionamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCCC2C3=CSC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCCC2C3=CSC=C3

InChI

InChI=1S/C18H21N3O4S/c1-25-17-5-4-14(21(23)24)11-15(17)19-18(22)6-9-20-8-2-3-16(20)13-7-10-26-12-13/h4-5,7,10-12,16H,2-3,6,8-9H2,1H3,(H,19,22)