2-azanyl-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydrochromen-5-one

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydrochromen-5-one Openeye Name: 2-amino-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydrochromen-5-one CAS Name: 2-amino-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-amino-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydrochromen-5-one Traditional Name: 2-amino-4-(3-nitrophenyl)-7-phenyl-3-(trifluoromethyl)-4,6,7,8-tetrahydrochromen-5-one Formula: C22H17F3N2O4 MolecularWeight: 430.37659

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F)N)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F)N)C4=CC=CC=C4

InChI

InChI=1S/C22H17F3N2O4/c23-22(24,25)20-18(13-7-4-8-15(9-13)27(29)30)19-16(28)10-14(11-17(19)31-21(20)26)12-5-2-1-3-6-12/h1-9,14,18H,10-11,26H2