[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H17Cl2N3O5 MolecularWeight: 426.25068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O5/c1-9(13-5-3-11(19)7-15(13)20)22-17(24)10(2)28-18(25)14-8-12(23(26)27)4-6-16(14)21/h3-10H,21H2,1-2H3,(H,22,24)