4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; 2-methylaniline

Systemtic Name: 4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; 2-methylaniline Openeye Name: 4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; 2-methylaniline CAS Name: 4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; 2-methylaniline IUPAC Name: 4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; 2-methylaniline Traditional Name: 4,10-diketo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid; o-toluidine Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N.C1=CC2=C(C(=O)C=C(N2)C(=O)O)C3=C1C(=O)C=C(N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N.C1=CC2=C(C(=O)C=C(N2)C(=O)O)C3=C1C(=O)C=C(N3)C(=O)O

InChI

InChI=1S/C14H8N2O6.C7H9N/c17-9-3-8(14(21)22)16-12-5(9)1-2-6-11(12)10(18)4-7(15-6)13(19)20;1-6-4-2-3-5-7(6)8/h1-4H,(H,15,18)(H,16,17)(H,19,20)(H,21,22);2-5H,8H2,1H3