3-methyl-5-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H13N5O4 MolecularWeight: 387.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H13N5O4/c1-12-15(10-21)17(24(22-12)13-6-3-2-4-7-13)11-23-19(26)14-8-5-9-16(25(28)29)18(14)20(23)27/h2-9H,11H2,1H3