2-[[N'-[N'-(4-methoxy-4-oxidanylidene-but-2-enoyl)carbamimidoyl]carbamimidoyl]amino]phenolate

Systemtic Name: 2-[[N'-[N'-(4-methoxy-4-oxidanylidene-but-2-enoyl)carbamimidoyl]carbamimidoyl]amino]phenolate Openeye Name: 2-[[N'-[N'-(4-methoxy-4-oxo-but-2-enoyl)carbamimidoyl]carbamimidoyl]amino]phenolate CAS Name: 2-[[amino-[amino-(4-methoxy-1,4-dioxobut-2-enyl)iminomethyl]iminomethyl]amino]phenolate IUPAC Name: 2-[[N'-[N'-(4-methoxy-4-oxobut-2-enoyl)carbamimidoyl]carbamimidoyl]amino]phenolate Traditional Name: 2-[[N'-[N'-(4-keto-4-methoxy-but-2-enoyl)amidino]amidino]amino]phenolate Formula: C13H14N5O4- MolecularWeight: 304.28136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)N=C(N)N=C(N)NC1=CC=CC=C1[O-]

Isomeric SMILES

COC(=O)C=CC(=O)N=C(N)N=C(N)NC1=CC=CC=C1[O-]

InChI

InChI=1S/C13H15N5O4/c1-22-11(21)7-6-10(20)17-13(15)18-12(14)16-8-4-2-3-5-9(8)19/h2-7,19H,1H3,(H5,14,15,16,17,18,20)/p-1