9-aminocarbonyl-10-chloranyl-1-(N'-pyridin-3-ylcarbamimidoyl)anthracene-2-carboxylic acid

Systemtic Name: 9-aminocarbonyl-10-chloranyl-1-(N'-pyridin-3-ylcarbamimidoyl)anthracene-2-carboxylic acid Openeye Name: 9-carbamoyl-10-chloro-1-[N'-(3-pyridyl)carbamimidoyl]anthracene-2-carboxylic acid CAS Name: 1-[amino(3-pyridinylimino)methyl]-9-carbamoyl-10-chloro-2-anthracenecarboxylic acid IUPAC Name: 9-carbamoyl-10-chloro-1-(N'-pyridin-3-ylcarbamimidoyl)anthracene-2-carboxylic acid Traditional Name: 9-carbamoyl-10-chloro-1-[N'-(3-pyridyl)amidino]anthracene-2-carboxylic acid Formula: C22H15ClN4O3 MolecularWeight: 418.8325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C(=C2Cl)C=CC(=C3C(=NC4=CN=CC=C4)N)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C(=C2Cl)C=CC(=C3C(=NC4=CN=CC=C4)N)C(=O)O)C(=O)N

InChI

InChI=1S/C22H15ClN4O3/c23-19-13-6-2-1-5-12(13)18(21(25)28)16-14(19)7-8-15(22(29)30)17(16)20(24)27-11-4-3-9-26-10-11/h1-10H,(H2,24,27)(H2,25,28)(H,29,30)