[(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C16H13Cl2N3O5/c1-8(26-16(23)11-4-2-9(17)6-13(11)19)15(22)20-14-5-3-10(21(24)25)7-12(14)18/h2-8H,19H2,1H3,(H,20,22)/t8-/m1/s1