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

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H21N3O7/c1-2-27-14-4-6-15(7-5-14)28-10-9-21-18(23)12-29-19(24)16-11-13(22(25)26)3-8-17(16)20/h3-8,11H,2,9-10,12,20H2,1H3,(H,21,23)