(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(2-keto-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium Formula: C16H15ClN3O4+ MolecularWeight: 348.761

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H14ClN3O4/c1-18(9-11-8-12(20(22)23)6-7-13(11)17)10-19-14-4-2-3-5-15(14)24-16(19)21/h2-8H,9-10H2,1H3/p+1