N-(3-chlorophenyl)-4-[(3-fluoranyl-4-methyl-phenyl)amino]-3,5-dinitro-benzamide

Systemtic Name: N-(3-chlorophenyl)-4-[(3-fluoranyl-4-methyl-phenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-(3-chlorophenyl)-4-(3-fluoro-4-methyl-anilino)-3,5-dinitro-benzamide CAS Name: N-(3-chlorophenyl)-4-(3-fluoro-4-methylanilino)-3,5-dinitrobenzamide IUPAC Name: N-(3-chlorophenyl)-4-(3-fluoro-4-methylanilino)-3,5-dinitrobenzamide Traditional Name: N-(3-chlorophenyl)-4-(3-fluoro-4-methyl-anilino)-3,5-dinitro-benzamide Formula: C20H14ClFN4O5 MolecularWeight: 444.800363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C20H14ClFN4O5/c1-11-5-6-15(10-16(11)22)23-19-17(25(28)29)7-12(8-18(19)26(30)31)20(27)24-14-4-2-3-13(21)9-14/h2-10,23H,1H3,(H,24,27)