[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H17ClFN3O5 MolecularWeight: 409.796083

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O5/c1-21-15-7-6-11(8-16(15)23(26)27)18(25)28-10-17(24)22(2)9-12-13(19)4-3-5-14(12)20/h3-8,21H,9-10H2,1-2H3