2-chloranyl-N-[3-methyl-1-oxidanylidene-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-methyl-1-oxidanylidene-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[3-methyl-1-oxo-1-[3-(1-pyrazolyl)propylamino]butan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]-4-nitro-benzamide Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCN1C=CC=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)NCCCN1C=CC=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O4/c1-12(2)16(18(26)20-7-3-9-23-10-4-8-21-23)22-17(25)14-6-5-13(24(27)28)11-15(14)19/h4-6,8,10-12,16H,3,7,9H2,1-2H3,(H,20,26)(H,22,25)