3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]propanamide

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]propanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H21N3O6/c1-13-20(26)22(16-4-2-3-5-18(16)29-13)11-10-19(25)21-12-17(24)14-6-8-15(9-7-14)23(27)28/h2-9,13,17,24H,10-12H2,1H3,(H,21,25)