1-[(2S,3S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[(2S,3S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S,2S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butyl]urea CAS Name: [(2S,3S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopentan-2-yl]urea IUPAC Name: [(2S,3S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butyl]urea Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C17H25N5O4/c1-3-12(2)15(19-17(18)24)16(23)21-10-8-20(9-11-21)13-4-6-14(7-5-13)22(25)26/h4-7,12,15H,3,8-11H2,1-2H3,(H3,18,19,24)/t12-,15-/m0/s1