3-[(4-nitrophenyl)carbamoyl-(4-phenoxyphenyl)amino]propylazanium

Systemtic Name: 3-[(4-nitrophenyl)carbamoyl-(4-phenoxyphenyl)amino]propylazanium Openeye Name: 3-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxy-anilino]propylammonium CAS Name: 3-(N-[(4-nitroanilino)-oxomethyl]-4-phenoxyanilino)propylammonium IUPAC Name: 3-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxyanilino]propylazanium Traditional Name: 3-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxy-anilino]propylammonium Formula: C22H23N4O4+ MolecularWeight: 407.44242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CCC[NH3+])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CCC[NH3+])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c23-15-4-16-25(22(27)24-17-7-9-19(10-8-17)26(28)29)18-11-13-21(14-12-18)30-20-5-2-1-3-6-20/h1-3,5-14H,4,15-16,23H2,(H,24,27)/p+1