[3-[[4-(2-methoxycarbonylphenyl)carbonyl-2-nitro-phenyl]amino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[4-(2-methoxycarbonylphenyl)carbonyl-2-nitro-phenyl]amino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[4-(2-methoxycarbonylbenzoyl)-2-nitro-anilino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[4-[(2-methoxycarbonylphenyl)-oxomethyl]-2-nitroanilino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[4-(2-methoxycarbonylbenzoyl)-2-nitroanilino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[4-(2-carbomethoxybenzoyl)-2-nitro-anilino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-])C[NH+](C)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-])C[NH+](C)C

InChI

InChI=1S/C22H27N3O5/c1-22(2,14-24(3)4)13-23-18-11-10-15(12-19(18)25(28)29)20(26)16-8-6-7-9-17(16)21(27)30-5/h6-12,23H,13-14H2,1-5H3/p+1