2-[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H10ClN3O5 MolecularWeight: 419.7742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(O4)C=CC(=C5)Cl

InChI

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