4-ethoxy-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-benzamide Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)OCC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-4-8-16-14(19)10(3)17-15(20)11-6-7-13(23-5-2)12(9-11)18(21)22/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,19)(H,17,20)/t10-/m0/s1