2-methoxy-4-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Traditional Name: 2-methoxy-4-nitro-6-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Formula: C19H17F3N3O4- MolecularWeight: 408.35119

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[O-]

InChI

InChI=1S/C19H18F3N3O4/c1-29-17-10-14(25(27)28)8-12(18(17)26)11-23-15-9-13(19(20,21)22)4-5-16(15)24-6-2-3-7-24/h4-5,8-11,26H,2-3,6-7H2,1H3/p-1