N-[3-azanyl-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-keto-propyl]-4-bromo-benzamide Formula: C24H29BrN4O4 MolecularWeight: 517.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H29BrN4O4/c25-18-11-8-16(9-12-18)24(31)28-21(15-23(26)30)17-10-13-20(22(14-17)29(32)33)27-19-6-4-2-1-3-5-7-19/h8-14,19,21,27H,1-7,15H2,(H2,26,30)(H,28,31)