4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-benzamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-benzamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-benzamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitrobenzamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitrobenzamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-benzamide Formula: C14H15N7O3 MolecularWeight: 329.314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C14H15N7O3/c15-7-9-10(19-20-13(9)16)2-1-5-18-11-4-3-8(14(17)22)6-12(11)21(23)24/h3-4,6,18H,1-2,5H2,(H2,17,22)(H3,16,19,20)