[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H15Cl2N3O5 MolecularWeight: 412.2241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])N

InChI

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