4-bromanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C18H13BrN6O3 MolecularWeight: 441.23822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

InChI

InChI=1S/C18H13BrN6O3/c19-15-16(22-23-17(15)25(27)28)18(26)21-13-8-20-24(10-13)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9H2,(H,21,26)(H,22,23)