2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-quinazolin-4-one Openeye Name: 2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-1H-quinazolin-4-one CAS Name: 2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-quinazolin-4-one IUPAC Name: 2-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1H-quinazolin-4-one Traditional Name: 2-[(N'E)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-1H-quinazolin-4-one Formula: C16H11N5O5 MolecularWeight: 353.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5/c22-15-10-3-1-2-4-11(10)18-16(19-15)20-17-7-9-5-13-14(26-8-25-13)6-12(9)21(23)24/h1-7H,8H2,(H2,18,19,20,22)/b17-7+