N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H15BrN6O4/c17-12-1-3-14(4-2-12)27-11-22-10-13(9-18-22)19-16(24)6-8-21-7-5-15(20-21)23(25)26/h1-5,7,9-10H,6,8,11H2,(H,19,24)