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

Systemtic Name: 3-azanyl-5-[3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCCC2=C(C(=NN2)N)C#N)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CNCCCC2=C(C(=NN2)N)C#N)C=C1[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3/c15-7-11-12(18-19-14(11)16)2-1-5-17-8-9-6-10(20(22)23)3-4-13(9)21/h3-4,6,8,17H,1-2,5H2,(H3,16,18,19)