[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO

InChI

InChI=1S/C14H17N3O6/c1-2-5-16-13(19)9-23-14(20)11-8-10(17(21)22)3-4-12(11)15-6-7-18/h2-4,8,15,18H,1,5-7,9H2,(H,16,19)