N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-bromo-1-(2,4-dichlorobenzyl)pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C16H13BrCl2N6O3 MolecularWeight: 488.12282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C(=N2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C=C(C(=N2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrCl2N6O3/c17-13-9-24(7-10-1-2-11(18)5-14(10)19)22-16(13)21-15(26)3-4-23-8-12(6-20-23)25(27)28/h1-2,5-6,8-9H,3-4,7H2,(H,21,22,26)