5-(5-nitro-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H12N4O5 MolecularWeight: 400.34378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O5/c26-20-15-5-3-13(19-23-17-9-14(25(28)29)4-6-18(17)30-19)8-16(15)21(27)24(20)11-12-2-1-7-22-10-12/h1-10H,11H2