1-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]urea CAS Name: 1-[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]urea Traditional Name: 1-benzyl-3-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]urea Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O4/c21-16-6-7-17(18(12-16)26(29)30)24-8-10-25(11-9-24)19(27)14-23-20(28)22-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,22,23,28)