N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-nitro-benzamide Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O3/c1-3-9(2)18-13(6-7-16-18)17-14(20)10-4-5-11(15)12(8-10)19(21)22/h4-9H,3H2,1-2H3,(H,17,20)/t9-/m0/s1