2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5/c1-9-3-2-4-12-15(9)19-14(20-16(12)23)8-21-17(24)11-6-5-10(22(26)27)7-13(11)18(21)25/h2-7H,8H2,1H3,(H,19,20,23)