6-(4-bromophenyl)carbonyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(4-bromophenyl)carbonyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-(4-bromobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-[(4-bromophenyl)-oxomethyl]-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(4-bromobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-(4-bromobenzoyl)-3-[[4-(4-nitrophenyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C25H21BrN4O5 MolecularWeight: 537.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Br)OC2=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Br)OC2=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21BrN4O5/c26-19-4-1-17(2-5-19)24(31)18-3-10-22-23(15-18)35-25(32)29(22)16-27-11-13-28(14-12-27)20-6-8-21(9-7-20)30(33)34/h1-10,15H,11-14,16H2