2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-(4-chlorophenyl)-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C21H10ClN3O5 MolecularWeight: 419.7742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H10ClN3O5/c22-12-2-4-13(5-3-12)24-20(26)15-7-1-11(9-16(15)21(24)27)19-23-17-8-6-14(25(28)29)10-18(17)30-19/h1-10H