[butanoyl-[(3-fluorophenyl)methyl]amino] 4-nitrobenzoate

Systemtic Name: [butanoyl-[(3-fluorophenyl)methyl]amino] 4-nitrobenzoate Openeye Name: [butanoyl-[(3-fluorophenyl)methyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3-fluorophenyl)methyl-(1-oxobutyl)amino] ester IUPAC Name: [butanoyl-[(3-fluorophenyl)methyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [butyryl-(3-fluorobenzyl)amino] ester Formula: C18H17FN2O5 MolecularWeight: 360.336383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5/c1-2-4-17(22)20(12-13-5-3-6-15(19)11-13)26-18(23)14-7-9-16(10-8-14)21(24)25/h3,5-11H,2,4,12H2,1H3