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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propionamide Formula: C19H16BrN5O6 MolecularWeight: 490.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H16BrN5O6/c1-12-3-2-4-15(7-12)31-16-9-13(8-14(10-16)24(27)28)21-18(26)5-6-23-11-17(20)19(22-23)25(29)30/h2-4,7-11H,5-6H2,1H3,(H,21,26)