diethyl-[3-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoylamino]propyl]azanium Openeye Name: diethyl-[3-[[(E)-(5-nitro-2-furyl)methyleneamino]carbamoylamino]propyl]ammonium CAS Name: diethyl-[3-[[[(2E)-2-[(5-nitro-2-furanyl)methylidene]hydrazinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoylamino]propyl]azanium Traditional Name: diethyl-[3-[[(E)-(5-nitro-2-furyl)methyleneamino]carbamoylamino]propyl]ammonium Formula: C13H22N5O4+ MolecularWeight: 312.34488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)NN=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O4/c1-3-17(4-2)9-5-8-14-13(19)16-15-10-11-6-7-12(22-11)18(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,16,19)/p+1/b15-10+