3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3-chlorophenyl)piperazino]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4/c19-13-2-1-3-14(10-13)21-8-6-20(7-9-21)12-22-16-11-15(23(25)26)4-5-17(16)27-18(22)24/h1-5,10-11H,6-9,12H2