4-methoxy-3-nitro-N-[(2S)-octan-2-yl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(2S)-octan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1S)-1-methylheptyl]-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[(2S)-octan-2-yl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2S)-octan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1S)-1-methylheptyl]-3-nitro-benzamide Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O4/c1-4-5-6-7-8-12(2)17-16(19)13-9-10-15(22-3)14(11-13)18(20)21/h9-12H,4-8H2,1-3H3,(H,17,19)/t12-/m0/s1