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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl)Cl

InChI

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