3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(cyclooctylamino)-3-nitro-phenyl]propanamide

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(cyclooctylamino)-3-nitro-phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(cyclooctylamino)-3-nitro-phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-(cyclooctylamino)-3-nitrophenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(cyclooctylamino)-3-nitrophenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(cyclooctylamino)-3-nitro-phenyl]propionamide Formula: C25H31BrN4O4 MolecularWeight: 531.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H31BrN4O4/c26-19-11-8-17(9-12-19)14-25(32)29-22(16-24(27)31)18-10-13-21(23(15-18)30(33)34)28-20-6-4-2-1-3-5-7-20/h8-13,15,20,22,28H,1-7,14,16H2,(H2,27,31)(H,29,32)