1-(4-tert-butylphenyl)-7-chloranyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Systemtic Name: 1-(4-tert-butylphenyl)-7-chloranyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Openeye Name: 1-(4-tert-butylphenyl)-7-chloro-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione CAS Name: 1-(4-tert-butylphenyl)-7-chloro-2-(3-pyridinylmethyl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione IUPAC Name: 1-(4-tert-butylphenyl)-7-chloro-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Traditional Name: 1-(4-tert-butylphenyl)-7-chloro-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CN=CC=C4)OC5=C(C3=O)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CN=CC=C4)OC5=C(C3=O)C=C(C=C5)Cl

InChI

InChI=1S/C27H23ClN2O3/c1-27(2,3)18-8-6-17(7-9-18)23-22-24(31)20-13-19(28)10-11-21(20)33-25(22)26(32)30(23)15-16-5-4-12-29-14-16/h4-14,23H,15H2,1-3H3