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

Systemtic Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H22N4O5/c1-15-3-2-4-16(11-15)13-22-7-9-23(10-8-22)20(26)14-24-18-6-5-17(25(28)29)12-19(18)30-21(24)27/h2-6,11-12H,7-10,13-14H2,1H3