1-[4-[C-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]phenyl]ethanone

Systemtic Name: 1-[4-[C-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]phenyl]ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzodioxole-5-carboximidoyl)phenyl]ethanone CAS Name: 1-[4-[imino-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenyl]ethanone IUPAC Name: 1-[4-(6-nitro-1,3-benzodioxole-5-carboximidoyl)phenyl]ethanone Traditional Name: 1-[4-(6-nitro-1,3-benzodioxole-5-carboximidoyl)phenyl]ethanone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H12N2O5/c1-9(19)10-2-4-11(5-3-10)16(17)12-6-14-15(23-8-22-14)7-13(12)18(20)21/h2-7,17H,8H2,1H3