2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]ethanamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6/c1-13(2)23-21(29)24-15-5-3-14(4-6-15)10-22-19(27)11-25-17-9-16(26(30)31)7-8-18(17)32-12-20(25)28/h3-9,13H,10-12H2,1-2H3,(H,22,27)(H2,23,24,29)