3-[(3-methoxyphenyl)-[[2-nitro-4-(trifluoromethyl)phenyl]amino]amino]propanamide

Systemtic Name: 3-[(3-methoxyphenyl)-[[2-nitro-4-(trifluoromethyl)phenyl]amino]amino]propanamide Openeye Name: 3-(3-methoxy-N-[2-nitro-4-(trifluoromethyl)anilino]anilino)propanamide CAS Name: 3-(3-methoxy-N-[2-nitro-4-(trifluoromethyl)anilino]anilino)propanamide IUPAC Name: 3-(3-methoxy-N-[2-nitro-4-(trifluoromethyl)anilino]anilino)propanamide Traditional Name: 3-(3-methoxy-N-[2-nitro-4-(trifluoromethyl)anilino]anilino)propionamide Formula: C17H17F3N4O4 MolecularWeight: 398.33649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O4/c1-28-13-4-2-3-12(10-13)23(8-7-16(21)25)22-14-6-5-11(17(18,19)20)9-15(14)24(26)27/h2-6,9-10,22H,7-8H2,1H3,(H2,21,25)