N-[(1R)-1-(4-methylphenyl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(p-tolyl)propyl]acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[(1R)-1-(p-tolyl)propyl]acetamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-3-16(14-6-4-13(2)5-7-14)21-19(24)11-22-17-10-15(23(26)27)8-9-18(17)28-12-20(22)25/h4-10,16H,3,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1