3-[(5-chloranylpyrimidin-2-yl)-[4-(4-nitrophenyl)phenyl]methyl]chromene-2,4-dione

Systemtic Name: 3-[(5-chloranylpyrimidin-2-yl)-[4-(4-nitrophenyl)phenyl]methyl]chromene-2,4-dione Openeye Name: 3-[(5-chloropyrimidin-2-yl)-[4-(4-nitrophenyl)phenyl]methyl]chromane-2,4-dione CAS Name: 3-[(5-chloro-2-pyrimidinyl)-[4-(4-nitrophenyl)phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[(5-chloropyrimidin-2-yl)-[4-(4-nitrophenyl)phenyl]methyl]chromene-2,4-dione Traditional Name: 3-[(5-chloropyrimidin-2-yl)-[4-(4-nitrophenyl)phenyl]methyl]chroman-2,4-quinone Formula: C26H16ClN3O5 MolecularWeight: 485.87534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=NC=C(C=N5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=NC=C(C=N5)Cl

InChI

InChI=1S/C26H16ClN3O5/c27-18-13-28-25(29-14-18)22(23-24(31)20-3-1-2-4-21(20)35-26(23)32)17-7-5-15(6-8-17)16-9-11-19(12-10-16)30(33)34/h1-14,22-23H