1-[1-cyano-3-ethyl-5-(4-nitrophenyl)-2-oxidanylidene-pentan-3-yl]urea

Systemtic Name: 1-[1-cyano-3-ethyl-5-(4-nitrophenyl)-2-oxidanylidene-pentan-3-yl]urea Openeye Name: [3-cyano-1-ethyl-1-[2-(4-nitrophenyl)ethyl]-2-oxo-propyl]urea CAS Name: [1-cyano-3-ethyl-5-(4-nitrophenyl)-2-oxopentan-3-yl]urea IUPAC Name: [1-cyano-3-ethyl-5-(4-nitrophenyl)-2-oxopentan-3-yl]urea Traditional Name: [3-cyano-1-ethyl-2-keto-1-[2-(4-nitrophenyl)ethyl]propyl]urea Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)CC#N)NC(=O)N

Isomeric SMILES

CCC(CCC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)CC#N)NC(=O)N

InChI

InChI=1S/C15H18N4O4/c1-2-15(18-14(17)21,13(20)8-10-16)9-7-11-3-5-12(6-4-11)19(22)23/h3-6H,2,7-9H2,1H3,(H3,17,18,21)