1-[(E)-[2,3-bis(oxidanylidene)azepan-4-yl]methylideneamino]urea

Systemtic Name: 1-[(E)-[2,3-bis(oxidanylidene)azepan-4-yl]methylideneamino]urea Openeye Name: [(E)-(2,3-dioxoazepan-4-yl)methyleneamino]urea CAS Name: [(E)-(2,3-dioxo-4-azepanyl)methylideneamino]urea IUPAC Name: [(E)-(2,3-dioxoazepan-4-yl)methylideneamino]urea Traditional Name: [(E)-(2,3-diketoazepan-4-yl)methyleneamino]urea Formula: C8H12N4O3 MolecularWeight: 212.20588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=O)NC1)C=NNC(=O)N

Isomeric SMILES

C1CC(C(=O)C(=O)NC1)/C=N/NC(=O)N

InChI

InChI=1S/C8H12N4O3/c9-8(15)12-11-4-5-2-1-3-10-7(14)6(5)13/h4-5H,1-3H2,(H,10,14)(H3,9,12,15)/b11-4+