5-[bis(1-methyl-2-oxidanylidene-cyclohepta[b]pyrrol-3-yl)methyl]benzene-1,3-dicarbaldehyde

Systemtic Name: 5-[bis(1-methyl-2-oxidanylidene-cyclohepta[b]pyrrol-3-yl)methyl]benzene-1,3-dicarbaldehyde Openeye Name: 5-[bis(1-methyl-2-oxo-cyclohepta[b]pyrrol-3-yl)methyl]benzene-1,3-dicarbaldehyde CAS Name: 5-[bis(1-methyl-2-oxo-3-cyclohepta[b]pyrrolyl)methyl]benzene-1,3-dicarboxaldehyde IUPAC Name: 5-[bis(1-methyl-2-oxocyclohepta[b]pyrrol-3-yl)methyl]benzene-1,3-dicarbaldehyde Traditional Name: 5-[bis(2-keto-1-methyl-cyclohepta[b]pyrrol-3-yl)methyl]isophthalaldehyde Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=CC2=C(C1=O)C(C3=CC(=CC(=C3)C=O)C=O)C4=C5C=CC=CC=C5N(C4=O)C

Isomeric SMILES

CN1C2=CC=CC=CC2=C(C1=O)C(C3=CC(=CC(=C3)C=O)C=O)C4=C5C=CC=CC=C5N(C4=O)C

InChI

InChI=1S/C29H22N2O4/c1-30-23-11-7-3-5-9-21(23)26(28(30)34)25(20-14-18(16-32)13-19(15-20)17-33)27-22-10-6-4-8-12-24(22)31(2)29(27)35/h3-17,25H,1-2H3