2-[(3-methoxyphenyl)methoxy]-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-m-anisyloxy-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23N3O6S/c1-14(29-13-15-4-3-5-16(12-15)28-2)19(24)21-8-10-22(11-9-21)20(25)17-6-7-18(30-17)23(26)27/h3-7,12,14H,8-11,13H2,1-2H3