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

Systemtic Name: N-[3-azanyl-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C28H37BrN4O4 MolecularWeight: 573.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCCCC(CCCCC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C28H37BrN4O4/c29-22-12-10-11-21(17-22)28(35)32-25(19-27(30)34)20-15-16-24(26(18-20)33(36)37)31-23-13-8-6-4-2-1-3-5-7-9-14-23/h10-12,15-18,23,25,31H,1-9,13-14,19H2,(H2,30,34)(H,32,35)