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

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylamino]-3-nitro-benzoate Openeye Name: ethyl 4-[(4-fluorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(4-fluorophenyl)methylamino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(4-fluorobenzyl)amino]-3-nitro-benzoic acid ethyl ester Formula: C16H15FN2O4 MolecularWeight: 318.299703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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