[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl] ester Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C17H16ClN3O6/c18-11-1-4-13(5-2-11)26-8-7-20-16(22)10-27-17(23)14-9-12(21(24)25)3-6-15(14)19/h1-6,9H,7-8,10,19H2,(H,20,22)