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

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C16H14BrClN6O3 MolecularWeight: 453.67776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN6O3/c17-12-10-23(9-11-3-1-2-4-13(11)18)21-16(12)19-15(25)6-8-22-7-5-14(20-22)24(26)27/h1-5,7,10H,6,8-9H2,(H,19,21,25)