N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN6O3/c17-13-11-22(10-12-4-2-1-3-5-12)20-16(13)18-15(24)7-9-21-8-6-14(19-21)23(25)26/h1-6,8,11H,7,9-10H2,(H,18,20,24)