methyl 2-[(4-fluorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(4-fluorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(4-fluorophenyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-fluorobenzyl)amino]-5-nitro-benzoic acid methyl ester Formula: C15H13FN2O4 MolecularWeight: 304.273123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FN2O4/c1-22-15(19)13-8-12(18(20)21)6-7-14(13)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3