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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(4-methylbenzyl)acetamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-12-2-4-13(5-3-12)9-19-17(22)10-20-15-8-14(21(24)25)6-7-16(15)26-11-18(20)23/h2-8H,9-11H2,1H3,(H,19,22)