methyl-[(2-nitrophenyl)methyl]-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium

Systemtic Name: methyl-[(2-nitrophenyl)methyl]-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl]-methyl-[(2-nitrophenyl)methyl]ammonium CAS Name: methyl-[(2-nitrophenyl)methyl]-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]ammonium IUPAC Name: methyl-[(2-nitrophenyl)methyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium Traditional Name: [2-(allylcarbamoylamino)-2-keto-ethyl]-methyl-(2-nitrobenzyl)ammonium Formula: C14H19N4O4+ MolecularWeight: 307.32506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1[N+](=O)[O-])CC(=O)NC(=O)NCC=C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1[N+](=O)[O-])CC(=O)NC(=O)NCC=C

InChI

InChI=1S/C14H18N4O4/c1-3-8-15-14(20)16-13(19)10-17(2)9-11-6-4-5-7-12(11)18(21)22/h3-7H,1,8-10H2,2H3,(H2,15,16,19,20)/p+1