1-(2-methoxy-4-nitro-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-7-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H12F3N3O5S MolecularWeight: 439.36519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O5S/c1-28-15-7-10(24(26)27)3-5-13(15)23-17(30)22-9-2-4-11-12(18(19,20)21)8-16(25)29-14(11)6-9/h2-8H,1H3,(H2,22,23,30)