2-[(E)-2-(4-methoxyphenyl)ethenyl]-6,8-dinitro-3,1-benzoxazin-4-one

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6,8-dinitro-3,1-benzoxazin-4-one Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-6,8-dinitro-3,1-benzoxazin-4-one CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6,8-dinitro-3,1-benzoxazin-4-one IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6,8-dinitro-3,1-benzoxazin-4-one Traditional Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-6,8-dinitro-3,1-benzoxazin-4-one Formula: C17H11N3O7 MolecularWeight: 369.28514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7/c1-26-12-5-2-10(3-6-12)4-7-15-18-16-13(17(21)27-15)8-11(19(22)23)9-14(16)20(24)25/h2-9H,1H3/b7-4+