(4-chloranyl-3-nitro-phenyl)methyl-(1-ethoxy-4-methyl-1-oxidanylidene-pentan-3-yl)azanium

Systemtic Name: (4-chloranyl-3-nitro-phenyl)methyl-(1-ethoxy-4-methyl-1-oxidanylidene-pentan-3-yl)azanium Openeye Name: (4-chloro-3-nitro-phenyl)methyl-(3-ethoxy-1-isopropyl-3-oxo-propyl)ammonium CAS Name: (4-chloro-3-nitrophenyl)methyl-(1-ethoxy-4-methyl-1-oxopentan-3-yl)ammonium IUPAC Name: (4-chloro-3-nitrophenyl)methyl-(1-ethoxy-4-methyl-1-oxopentan-3-yl)azanium Traditional Name: (4-chloro-3-nitro-benzyl)-(3-ethoxy-1-isopropyl-3-keto-propyl)ammonium Formula: C15H22ClN2O4+ MolecularWeight: 329.79918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C)[NH2+]CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C(C)C)[NH2+]CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H21ClN2O4/c1-4-22-15(19)8-13(10(2)3)17-9-11-5-6-12(16)14(7-11)18(20)21/h5-7,10,13,17H,4,8-9H2,1-3H3/p+1