[2-[[(4-methanoyl-2-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(4-methanoyl-2-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[(4-formyl-2-nitro-anilino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[(4-formyl-2-nitroanilino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[(4-formyl-2-nitroanilino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[(4-formyl-2-nitro-anilino)methyl]benzyl]-dimethyl-ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-19(2)11-15-6-4-3-5-14(15)10-18-16-8-7-13(12-21)9-17(16)20(22)23/h3-9,12,18H,10-11H2,1-2H3/p+1