N-(2-cyanophenyl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(2-cyanophenyl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(2-cyanophenyl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(2-cyanophenyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-cyanophenyl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-cyanophenyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c14-7-10-3-1-2-4-12(10)16-13(19)5-6-17-9-11(8-15-17)18(20)21/h1-4,8-9H,5-6H2,(H,16,19)