N-[3-nitro-4-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]propanamide

Systemtic Name: N-[3-nitro-4-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]propanamide Openeye Name: N-[4-[2-hydroxy-3-(isopropylamino)butoxy]-3-nitro-phenyl]propanamide CAS Name: N-[4-[2-hydroxy-3-(propan-2-ylamino)butoxy]-3-nitrophenyl]propanamide IUPAC Name: N-[4-[2-hydroxy-3-(propan-2-ylamino)butoxy]-3-nitrophenyl]propanamide Traditional Name: N-[4-[2-hydroxy-3-(isopropylamino)butoxy]-3-nitro-phenyl]propionamide Formula: C16H25N3O5 MolecularWeight: 339.3868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O5/c1-5-16(21)18-12-6-7-15(13(8-12)19(22)23)24-9-14(20)11(4)17-10(2)3/h6-8,10-11,14,17,20H,5,9H2,1-4H3,(H,18,21)