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

Systemtic Name: 3-azanyl-5-[3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H13ClN6O3 MolecularWeight: 348.74442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O3/c15-9-4-8(13(22)12(5-9)21(23)24)7-18-3-1-2-11-10(6-16)14(17)20-19-11/h4-5,7,18H,1-3H2,(H3,17,19,20)