[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c1-2-6-14-13(19)15-11(17)8-22-12(18)9-4-3-5-10(7-9)16(20)21/h2-5,7H,1,6,8H2,(H2,14,15,17,19)