[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-(4-nitrobenzyl)ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21N3O5/c1-2-21(12-14-3-6-16(7-4-14)22(24)25)13-19(23)20-15-5-8-17-18(11-15)27-10-9-26-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,23)/p+1