6-methyl-3-(4-nitrophenyl)-4-oxidanylidene-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile

Systemtic Name: 6-methyl-3-(4-nitrophenyl)-4-oxidanylidene-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 6-methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 6-methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 6-methyl-3-(4-nitrophenyl)-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-6-methyl-3-(4-nitrophenyl)-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Formula: C19H12N6O3 MolecularWeight: 372.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4

InChI

InChI=1S/C19H12N6O3/c1-12-17(13-5-3-2-4-6-13)16(11-20)18-21-22-24(19(26)23(12)18)14-7-9-15(10-8-14)25(27)28/h2-10H,1H3