N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-29-16-7-4-14(5-8-16)21(13-2-3-13)22-19(25)11-23-17-10-15(24(27)28)6-9-18(17)30-12-20(23)26/h4-10,13,21H,2-3,11-12H2,1H3,(H,22,25)