8-[[(Z)-(6-carboxy-2-methanidyl-isoquinolin-1-ylidene)amino]-methanidyl-amino]-2-chloranyl-1-methylidene-5-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 8-[[(Z)-(6-carboxy-2-methanidyl-isoquinolin-1-ylidene)amino]-methanidyl-amino]-2-chloranyl-1-methylidene-5-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 8-[[(Z)-(6-carboxy-2-methanidyl-1-isoquinolylidene)amino]-methanidyl-amino]-2-chloro-1-methylene-5-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 8-[[(Z)-(6-carboxy-2-methanidyl-1-isoquinolinylidene)amino]-methanidylamino]-2-chloro-1-methylene-5-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 8-[[(Z)-(6-carboxy-2-methanidylisoquinolin-1-ylidene)amino]-methanidylamino]-2-chloro-1-methylidene-5-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 8-[[(Z)-(6-carboxy-2-methanidyl-1-isoquinolylidene)amino]-methanidyl-amino]-2-chloro-5-keto-1-methylene-quinolin-1-ium-3-carboxylic acid Formula: C23H16ClN4O5- MolecularWeight: 463.84994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]N1C=CC2=C(C1=NN([CH2-])C3=C4C(=CC(=C([N+]4=C)Cl)C(=O)O)C(=O)C=C3)C=CC(=C2)C(=O)O

Isomeric SMILES

[CH2-]N\1C=CC2=C(/C1=N/N([CH2-])C3=C4C(=CC(=C([N+]4=C)Cl)C(=O)O)C(=O)C=C3)C=CC(=C2)C(=O)O

InChI

InChI=1S/C23H16ClN4O5/c1-26-9-8-12-10-13(22(30)31)4-5-14(12)21(26)25-28(3)17-6-7-18(29)15-11-16(23(32)33)20(24)27(2)19(15)17/h4-11H,1-3H2,(H,30,31)(H,32,33)/q-1/b25-21-