ethyl (4E)-3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-4-(aminocarbonylhydrazinylidene)-2-methyl-pentanoate

Systemtic Name: ethyl (4E)-3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-4-(aminocarbonylhydrazinylidene)-2-methyl-pentanoate Openeye Name: ethyl (4E)-4-(carbamoylhydrazono)-2-methyl-3-[(E)-C-methyl-N-ureido-carbonimidoyl]pentanoate CAS Name: (4E)-4-(carbamoylhydrazinylidene)-3-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl (4E)-3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-4-(carbamoylhydrazinylidene)-2-methylpentanoate Traditional Name: (4E)-2-methyl-3-[(E)-C-methyl-N-ureido-carbonimidoyl]-4-semicarbazono-valeric acid ethyl ester Formula: C12H22N6O4 MolecularWeight: 314.34088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C(=NNC(=O)N)C)C(=NNC(=O)N)C

Isomeric SMILES

CCOC(=O)C(C(/C(=N/NC(=O)N)/C)/C(=N/NC(=O)N)/C)C

InChI

InChI=1S/C12H22N6O4/c1-5-22-10(19)6(2)9(7(3)15-17-11(13)20)8(4)16-18-12(14)21/h6,9H,5H2,1-4H3,(H3,13,17,20)(H3,14,18,21)/b15-7+,16-8+