1-[(4-methylphenyl)methyl]-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]urea

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]urea Openeye Name: 1-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolylmethyl)urea CAS Name: 1-[(4-methylphenyl)methyl]-3-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]urea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]urea Traditional Name: 1-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]-3-(4-methylbenzyl)urea Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-16-6-8-17(9-7-16)14-22-21(28)23-15-20(27)25-12-10-24(11-13-25)18-4-2-3-5-19(18)26(29)30/h2-9H,10-15H2,1H3,(H2,22,23,28)