3-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]-7-nitro-4H-1,4-benzoxazin-2-one

Systemtic Name: 3-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]-7-nitro-4H-1,4-benzoxazin-2-one Openeye Name: 7-nitro-3-[2-oxo-2-(p-tolyl)ethylidene]-4H-1,4-benzoxazin-2-one CAS Name: 3-[2-(4-methylphenyl)-2-oxoethylidene]-7-nitro-4H-1,4-benzoxazin-2-one IUPAC Name: 3-[2-(4-methylphenyl)-2-oxoethylidene]-7-nitro-4H-1,4-benzoxazin-2-one Traditional Name: 3-[2-keto-2-(p-tolyl)ethylidene]-7-nitro-4H-1,4-benzoxazin-2-one Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5/c1-10-2-4-11(5-3-10)15(20)9-14-17(21)24-16-8-12(19(22)23)6-7-13(16)18-14/h2-9,18H,1H3