2-[(6-azanyl-2-methyl-5-nitro-pyridin-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-azanyl-2-methyl-5-nitro-pyridin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(6-amino-2-methyl-5-nitro-3-pyridyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(6-amino-2-methyl-5-nitro-3-pyridinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-amino-2-methyl-5-nitropyridin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(6-amino-2-methyl-5-nitro-3-pyridyl)methyl]isoindoline-1,3-quinone Formula: C15H12N4O4 MolecularWeight: 312.28018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])N

Isomeric SMILES

CC1=NC(=C(C=C1CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])N

InChI

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