3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-[4-(o-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(2-methylbenzyl)piperazino]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H26N4O5/c1-17-5-2-3-6-18(17)16-24-11-13-25(14-12-24)22(28)7-4-10-26-20-9-8-19(27(30)31)15-21(20)32-23(26)29/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3