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

Systemtic Name: N-(2-cyanophenyl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(2-cyanophenyl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(2-cyanophenyl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-cyanophenyl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-cyanophenyl)-3-(3-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=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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