[6-[2-[(4-nitrophenyl)carbamoyl-phenyl-amino]ethylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[2-[(4-nitrophenyl)carbamoyl-phenyl-amino]ethylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylamino]-6-oxo-hexyl]ammonium CAS Name: [6-[2-(N-[(4-nitroanilino)-oxomethyl]anilino)ethylamino]-6-oxohexyl]ammonium IUPAC Name: [6-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylamino]-6-oxohexyl]azanium Traditional Name: [6-keto-6-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylamino]hexyl]ammonium Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCNC(=O)CCCCC[NH3+])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCNC(=O)CCCCC[NH3+])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c22-14-6-2-5-9-20(27)23-15-16-25(18-7-3-1-4-8-18)21(28)24-17-10-12-19(13-11-17)26(29)30/h1,3-4,7-8,10-13H,2,5-6,9,14-16,22H2,(H,23,27)(H,24,28)/p+1