N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-bromo-1-(2,4-dichlorobenzyl)pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C17H10BrCl2N5O5 MolecularWeight: 515.1018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C17H10BrCl2N5O5/c18-14-8-23(7-9-1-2-11(19)5-15(9)20)22-16(14)21-17(26)10-3-12(24(27)28)6-13(4-10)25(29)30/h1-6,8H,7H2,(H,21,22,26)