[3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamic acid

Systemtic Name: [3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamic acid Openeye Name: [1-[(4-hydroxy-3-nitro-phenyl)methyl]-2-oxo-2-(4-phenylbutylamino)ethyl]carbamic acid CAS Name: [3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamic acid IUPAC Name: [3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamic acid Traditional Name: [1-(4-hydroxy-3-nitro-benzyl)-2-keto-2-(4-phenylbutylamino)ethyl]carbamic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C20H23N3O6/c24-18-10-9-15(13-17(18)23(28)29)12-16(22-20(26)27)19(25)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,16,22,24H,4-5,8,11-12H2,(H,21,25)(H,26,27)