3-azanyl-5-[5-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C16H18N6O3 MolecularWeight: 342.35252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCCCCC2=C(C(=NN2)N)C#N)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CNCCCCCC2=C(C(=NN2)N)C#N)C=C1[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c17-9-13-14(20-21-16(13)18)4-2-1-3-7-19-10-11-8-12(22(24)25)5-6-15(11)23/h5-6,8,10,19H,1-4,7H2,(H3,18,20,21)