1-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea CAS Name: 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(3-nitrophenyl)urea Formula: C14H15N7O3 MolecularWeight: 329.314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O3/c15-8-11-12(19-20-13(11)16)5-2-6-17-14(22)18-9-3-1-4-10(7-9)21(23)24/h1,3-4,7H,2,5-6H2,(H3,16,19,20)(H2,17,18,22)