N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-chloro-3-nitro-benzamide Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2O1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H](C1=NC2=CC=CC=C2O1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O4/c1-11(2)9-15(19-22-14-5-3-4-6-17(14)27-19)21-18(24)12-7-8-13(20)16(10-12)23(25)26/h3-8,10-11,15H,9H2,1-2H3,(H,21,24)/t15-/m1/s1