2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C=C1

InChI

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