N-[2,6-bis(bromanyl)-4-nitro-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C14H13Br2N5O5 MolecularWeight: 491.09152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13Br2N5O5/c1-7-14(21(25)26)8(2)19(18-7)4-3-12(22)17-13-10(15)5-9(20(23)24)6-11(13)16/h5-6H,3-4H2,1-2H3,(H,17,22)