2-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-3-methoxy-phenyl]-4,6-dinitro-1H-indole

Systemtic Name: 2-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-3-methoxy-phenyl]-4,6-dinitro-1H-indole Openeye Name: 2-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-3-methoxy-phenyl]-4,6-dinitro-1H-indole CAS Name: 2-[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole IUPAC Name: 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole Traditional Name: 2-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-3-methoxy-phenyl]-4,6-dinitro-1H-indole Formula: C21H18BrN5O5 MolecularWeight: 500.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)C3=CC4=C(C=C(C=C4N3)[N+](=O)[O-])[N+](=O)[O-])OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)C3=CC4=C(C=C(C=C4N3)[N+](=O)[O-])[N+](=O)[O-])OC)C)Br

InChI

InChI=1S/C21H18BrN5O5/c1-11-21(22)12(2)25(24-11)10-14-5-4-13(6-20(14)32-3)17-9-16-18(23-17)7-15(26(28)29)8-19(16)27(30)31/h4-9,23H,10H2,1-3H3