6-azanylidene-2-[3-(3-azanylidene-2-carboxy-cyclohexa-1,5-dien-1-yl)-2-bicyclo[2.2.1]hept-5-enyl]cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-azanylidene-2-[3-(3-azanylidene-2-carboxy-cyclohexa-1,5-dien-1-yl)-2-bicyclo[2.2.1]hept-5-enyl]cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 2-[3-(2-carboxy-3-imino-cyclohexa-1,5-dien-1-yl)-2-bicyclo[2.2.1]hept-5-enyl]-6-imino-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 2-[3-(2-carboxy-3-imino-1-cyclohexa-1,5-dienyl)-2-bicyclo[2.2.1]hept-5-enyl]-6-imino-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 2-[3-(2-carboxy-3-iminocyclohexa-1,5-dien-1-yl)-2-bicyclo[2.2.1]hept-5-enyl]-6-iminocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 2-[3-(2-carboxy-3-imino-cyclohexa-1,5-dien-1-yl)-2-bicyclo[2.2.1]hept-5-enyl]-6-imino-cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C(C1=N)C(=O)O)C2C3CC(C2C4=C(C(=N)CC=C4)C(=O)O)C=C3

Isomeric SMILES

C1C=CC(=C(C1=N)C(=O)O)C2C3CC(C2C4=C(C(=N)CC=C4)C(=O)O)C=C3

InChI

InChI=1S/C21H20N2O4/c22-14-5-1-3-12(18(14)20(24)25)16-10-7-8-11(9-10)17(16)13-4-2-6-15(23)19(13)21(26)27/h1-4,7-8,10-11,16-17,22-23H,5-6,9H2,(H,24,25)(H,26,27)