[4-[(4-aminophenyl)amino]-3-nitro-phenyl]carbonyl-ethyl-methyl-phenyl-azanium

Systemtic Name: [4-[(4-aminophenyl)amino]-3-nitro-phenyl]carbonyl-ethyl-methyl-phenyl-azanium Openeye Name: [4-(4-aminoanilino)-3-nitro-benzoyl]-ethyl-methyl-phenyl-ammonium CAS Name: [[4-(4-aminoanilino)-3-nitrophenyl]-oxomethyl]-ethyl-methyl-phenylammonium IUPAC Name: [4-(4-aminoanilino)-3-nitrobenzoyl]-ethyl-methyl-phenylazanium Traditional Name: [4-(4-aminoanilino)-3-nitro-benzoyl]-ethyl-methyl-phenyl-ammonium Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC[N+](C)(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-3-26(2,19-7-5-4-6-8-19)22(27)16-9-14-20(21(15-16)25(28)29)24-18-12-10-17(23)11-13-18/h4-15H,3,23H2,1-2H3/p+1