methyl 4-[(3-fluorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(3-fluorophenyl)methylamino]-3-nitro-benzoate Openeye Name: methyl 4-[(3-fluorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(3-fluorophenyl)methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-fluorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(3-fluorobenzyl)amino]-3-nitro-benzoic acid methyl ester Formula: C15H13FN2O4 MolecularWeight: 304.273123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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