(2R)-4-(4-ethoxy-3-nitro-phenyl)carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(4-ethoxy-3-nitro-phenyl)carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(4-ethoxy-3-nitro-benzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(4-ethoxy-3-nitrobenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(4-ethoxy-3-nitro-benzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-3-11-22-20(25)19-13-23(15-7-5-6-8-18(15)30-19)21(26)14-9-10-17(29-4-2)16(12-14)24(27)28/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,22,25)/t19-/m1/s1