N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-hexoxy-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxidanylidene-pentan-2-yl]-4-hexoxy-3-nitro-benzamide Openeye Name: N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-3-nitro-benzamide CAS Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxy-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(2-dimethylaminoethylamino)-1-oxopentan-2-yl]-4-hexoxy-3-nitrobenzamide Traditional Name: N-[(1S)-1-(2-dimethylaminoethylcarbamoyl)butyl]-4-hexoxy-3-nitro-benzamide Formula: C22H36N4O5 MolecularWeight: 436.54504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(CCC)C(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H36N4O5/c1-5-7-8-9-15-31-20-12-11-17(16-19(20)26(29)30)21(27)24-18(10-6-2)22(28)23-13-14-25(3)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,23,28)(H,24,27)/t18-/m0/s1