2-[(3Z)-3-(5-carbamimidoyl-1,7a-dihydrobenzimidazol-2-ylidene)-5-(2-methoxyphenyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioate

Systemtic Name: 2-[(3Z)-3-(5-carbamimidoyl-1,7a-dihydrobenzimidazol-2-ylidene)-5-(2-methoxyphenyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioate Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,7a-dihydrobenzimidazol-2-ylidene)-5-(2-methoxyphenyl)-4-oxo-cyclohexa-1,5-dien-1-yl]butanedioate CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,7a-dihydrobenzimidazol-2-ylidene)-5-(2-methoxyphenyl)-4-oxo-1-cyclohexa-1,5-dienyl]butanedioate IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,7a-dihydrobenzimidazol-2-ylidene)-5-(2-methoxyphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioate Traditional Name: 2-[(3Z)-3-(5-amidino-1,7a-dihydrobenzimidazol-2-ylidene)-4-keto-5-(2-methoxyphenyl)cyclohexa-1,5-dien-1-yl]succinate Formula: C25H20N4O6-2 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=CC(=C3NC4C=CC(=CC4=N3)C(=N)N)C2=O)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=C/C(=C/3\NC4C=CC(=CC4=N3)C(=N)N)/C2=O)C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,18,28H,11H2,1H3,(H3,26,27)(H,30,31)(H,33,34)/p-2/b24-17-