[1-[[2-(2-fluorophenyl)carbonyl-4-nitro-phenyl]-methyl-amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [1-[[2-(2-fluorophenyl)carbonyl-4-nitro-phenyl]-methyl-amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [2-[2-(2-fluorobenzoyl)-N-methyl-4-nitro-anilino]-1,1-dimethyl-2-oxo-ethyl]carbamic acid CAS Name: [1-[2-[(2-fluorophenyl)-oxomethyl]-N-methyl-4-nitroanilino]-2-methyl-1-oxopropan-2-yl]carbamic acid IUPAC Name: [1-[2-(2-fluorobenzoyl)-N-methyl-4-nitroanilino]-2-methyl-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-[2-(2-fluorobenzoyl)-N-methyl-4-nitro-anilino]-2-keto-1,1-dimethyl-ethyl]carbamic acid Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2F)NC(=O)O

Isomeric SMILES

CC(C)(C(=O)N(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2F)NC(=O)O

InChI

InChI=1S/C19H18FN3O6/c1-19(2,21-18(26)27)17(25)22(3)15-9-8-11(23(28)29)10-13(15)16(24)12-6-4-5-7-14(12)20/h4-10,21H,1-3H3,(H,26,27)