methyl 4-methylbenzoate; 2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: methyl 4-methylbenzoate; 2-nitro-4-(trifluoromethyl)aniline Openeye Name: methyl 4-methylbenzoate; 2-nitro-4-(trifluoromethyl)aniline CAS Name: 4-methylbenzoic acid methyl ester; 2-nitro-4-(trifluoromethyl)aniline IUPAC Name: methyl 4-methylbenzoate; 2-nitro-4-(trifluoromethyl)aniline Traditional Name: 4-methylbenzoic acid methyl ester; [2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C9H10O2.C7H5F3N2O2/c1-7-3-5-8(6-4-7)9(10)11-2;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h3-6H,1-2H3;1-3H,11H2