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

Systemtic Name: 1-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea Openeye Name: [3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-1-phenyl-propyl]urea CAS Name: [3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxo-1-phenylpropyl]urea IUPAC Name: [3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]urea Traditional Name: [3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-1-phenyl-propyl]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)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O4/c21-15-6-7-17(18(12-15)26(29)30)24-8-10-25(11-9-24)19(27)13-16(23-20(22)28)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H3,22,23,28)