6-azanyl-N-[2-[(4-nitrophenyl)carbamoyl-phenyl-amino]ethyl]hexanamide

Systemtic Name: 6-azanyl-N-[2-[(4-nitrophenyl)carbamoyl-phenyl-amino]ethyl]hexanamide Openeye Name: 6-amino-N-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide CAS Name: 6-amino-N-[2-(N-[(4-nitroanilino)-oxomethyl]anilino)ethyl]hexanamide IUPAC Name: 6-amino-N-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide Traditional Name: 6-amino-N-[2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N(CCNC(=O)CCCCCN)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)