N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-4-nitro-benzamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-4-nitro-benzamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-4-nitro-benzamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2-methylpropyl]-4-nitrobenzamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methylpropyl]-4-nitrobenzamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-4-nitro-benzamide Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@H](NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H17N5O3/c1-11(2)16(21-15-6-4-3-5-14(15)19-20-21)18-17(23)12-7-9-13(10-8-12)22(24)25/h3-11,16H,1-2H3,(H,18,23)/t16-/m1/s1