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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3-methyl-4-nitro-benzamide Formula: C18H13BrCl2N4O3 MolecularWeight: 484.13082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrCl2N4O3/c1-10-6-12(3-5-16(10)25(27)28)18(26)22-17-13(19)9-24(23-17)8-11-2-4-14(20)15(21)7-11/h2-7,9H,8H2,1H3,(H,22,23,26)