N-[1,3-dimethyl-2,4-bis(oxidanylidene)-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl]-4-nitro-benzamide

Systemtic Name: N-[1,3-dimethyl-2,4-bis(oxidanylidene)-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl]-4-nitro-benzamide Openeye Name: N-(1,3-dimethyl-2,4-dioxo-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl)-4-nitro-benzamide CAS Name: N-(1,3-dimethyl-2,4-dioxo-5-phenyl-6-pyrrolo[3,4-d]pyrimidinyl)-4-nitrobenzamide IUPAC Name: N-(1,3-dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)-4-nitrobenzamide Traditional Name: N-(2,4-diketo-1,3-dimethyl-5-phenyl-pyrrolo[3,4-d]pyrimidin-6-yl)-4-nitro-benzamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c1-23-16-12-25(22-19(27)14-8-10-15(11-9-14)26(30)31)18(13-6-4-3-5-7-13)17(16)20(28)24(2)21(23)29/h3-12H,1-2H3,(H,22,27)