5-azanyl-2-(3-methoxy-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one

Systemtic Name: 5-azanyl-2-(3-methoxy-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Openeye Name: 5-amino-2-(3-methoxy-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one CAS Name: 5-amino-2-(3-methoxy-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenone IUPAC Name: 5-amino-2-(3-methoxy-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Traditional Name: 5-amino-2-(3-methoxy-2-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])C2C(=O)C(=C(S2)N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])C2C(=O)C(=C(S2)N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S/c1-27-12-7-3-6-11(14(12)23(25)26)16-15(24)13(17(22)28-16)9-4-2-5-10(8-9)18(19,20)21/h2-8,16H,22H2,1H3