N-[bis(azanyl)methylidene]-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-(diaminomethylene)-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-(diaminomethylidene)-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-(diaminomethylidene)-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-(diaminomethylene)-1-methyl-7-(2-nitrophenoxy)-4-(trifluoromethyl)indole-2-carboxamide Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)OC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F)C(=O)N=C(N)N

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)OC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F)C(=O)N=C(N)N

InChI

InChI=1S/C18H14F3N5O4/c1-25-12(16(27)24-17(22)23)8-9-10(18(19,20)21)6-7-14(15(9)25)30-13-5-3-2-4-11(13)26(28)29/h2-8H,1H3,(H4,22,23,24,27)