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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3-(3-nitropyrazol-1-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=CC(=N3)[N+](=O)[O-])Br)Cl)Cl

Isomeric SMILES

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

InChI

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