[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H15Cl2N3O5 MolecularWeight: 412.2241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O5/c18-11-2-1-10(14(19)7-11)5-6-21-16(23)9-27-17(24)13-4-3-12(22(25)26)8-15(13)20/h1-4,7-8H,5-6,9,20H2,(H,21,23)