methyl (5Z)-4-acetamido-5-[[azanyl(carbamimidoyl)amino]methylidene]cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl (5Z)-4-acetamido-5-[[azanyl(carbamimidoyl)amino]methylidene]cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl (5Z)-4-acetamido-5-[[amino(carbamimidoyl)amino]methylene]cyclohexa-1,3-diene-1-carboxylate CAS Name: (5Z)-4-acetamido-5-[[amino(carbamimidoyl)amino]methylidene]-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-4-acetamido-5-[[amino(carbamimidoyl)amino]methylidene]cyclohexa-1,3-diene-1-carboxylate Traditional Name: (5Z)-4-acetamido-5-[[amidino(amino)amino]methylene]cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(CC1=CN(C(=N)N)N)C(=O)OC

Isomeric SMILES

CC(=O)NC\1=CC=C(C/C1=C/N(C(=N)N)N)C(=O)OC

InChI

InChI=1S/C12H17N5O3/c1-7(18)16-10-4-3-8(11(19)20-2)5-9(10)6-17(15)12(13)14/h3-4,6H,5,15H2,1-2H3,(H3,13,14)(H,16,18)/b9-6-