methyl 2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(4-fluoro-3-methyl-phenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(4-fluoro-3-methylphenyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-3-methylphenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-fluoro-3-methyl-benzyl)amino]-5-nitro-benzoic acid methyl ester Formula: C16H15FN2O4 MolecularWeight: 318.299703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)F

InChI

InChI=1S/C16H15FN2O4/c1-10-7-11(3-5-14(10)17)9-18-15-6-4-12(19(21)22)8-13(15)16(20)23-2/h3-8,18H,9H2,1-2H3