4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile

Systemtic Name: 4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile Openeye Name: 4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile CAS Name: 4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile IUPAC Name: 4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile Traditional Name: 4-nitro-1H-indole-3-carbonitrile; 6-nitro-1H-indole-3-carbonitrile Formula: C18H10N6O4 MolecularWeight: 374.3098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C#N.C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C#N.C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C#N

InChI

InChI=1S/2C9H5N3O2/c10-4-6-5-11-9-3-7(12(13)14)1-2-8(6)9;10-4-6-5-11-7-2-1-3-8(9(6)7)12(13)14/h2*1-3,5,11H