diethyl-[2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]ethyl]azanium Openeye Name: diethyl-[2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]ammonium CAS Name: diethyl-[2-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]azanium Traditional Name: diethyl-[2-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]ethyl]ammonium Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C17H24N4O5/c1-3-19(4-2)11-9-18-16(22)6-5-10-20-14-8-7-13(21(24)25)12-15(14)26-17(20)23/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,22)/p+1