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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]propanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]propanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propionamide Formula: C16H14BrClN6O3 MolecularWeight: 453.67776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN6O3/c17-12-9-22(21-16(12)24(26)27)7-6-14(25)19-15-13(18)10-23(20-15)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,19,20,25)