3-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(4-chlorobenzoyl)piperazino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H21ClN4O6 MolecularWeight: 472.87834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O6/c23-16-5-3-15(4-6-16)21(29)25-12-10-24(11-13-25)20(28)2-1-9-26-18-8-7-17(27(31)32)14-19(18)33-22(26)30/h3-8,14H,1-2,9-13H2