3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]propionamide Formula: C18H13BrClN5O6 MolecularWeight: 510.68272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C18H13BrClN5O6/c19-16-10-23(22-18(16)25(29)30)6-5-17(26)21-12-7-13(24(27)28)9-15(8-12)31-14-3-1-11(20)2-4-14/h1-4,7-10H,5-6H2,(H,21,26)