2-[(2-azanylidene-5-methyl-pyridin-1-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(2-azanylidene-5-methyl-pyridin-1-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2-imino-5-methyl-1-pyridyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-imino-5-methyl-1-pyridinyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-imino-5-methylpyridin-1-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2-imino-5-methyl-1-pyridyl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H12N4O4 MolecularWeight: 312.28018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N)C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=N)C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4/c1-9-2-5-13(16)17(7-9)8-18-14(20)11-4-3-10(19(22)23)6-12(11)15(18)21/h2-7,16H,8H2,1H3