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(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-(phenylmethyl)-propan-2-yl-azanium

(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name:(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-(phenylmethyl)-propan-2-yl-azanium
Openeye Name:benzyl-isopropyl-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium
CAS Name:(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-(phenylmethyl)-propan-2-ylammonium
IUPAC Name:benzyl-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-propan-2-ylazanium
Traditional Name:benzyl-isopropyl-[(2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl]ammonium
Formula: C18H20N3O4+
MolecularWeight: 342.3691
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O


Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O


InChI

InChI=1S/C18H19N3O4/c1-13(2)19(11-14-6-4-3-5-7-14)12-20-16-10-15(21(23)24)8-9-17(16)25-18(20)22/h3-10,13H,11-12H2,1-2H3/p+1


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