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

Systemtic Name: (2R)-4-(3-methyl-4-nitro-phenyl)carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(3-methyl-4-nitro-benzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(3-methyl-4-nitrophenyl)-oxomethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(3-methyl-4-nitrobenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(3-methyl-4-nitro-benzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-3-10-21-19(24)18-12-22(16-6-4-5-7-17(16)28-18)20(25)14-8-9-15(23(26)27)13(2)11-14/h4-9,11,18H,3,10,12H2,1-2H3,(H,21,24)/t18-/m1/s1