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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N4O7 MolecularWeight: 366.32602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O7/c1-2-5-17-15(23)18-13(21)9-26-14(22)11-8-10(19(24)25)3-4-12(11)16-6-7-20/h2-4,8,16,20H,1,5-7,9H2,(H2,17,18,21,23)