2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-5-nitro-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-5-nitro-1,3-benzoxazole Openeye Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-5-nitro-1,3-benzoxazole CAS Name: 2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-5-nitro-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-5-nitro-1,3-benzoxazole Traditional Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-5-nitro-1,3-benzoxazole Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N3O7/c1-25-15-7-10(13(20(23)24)9-16(15)26-2)3-6-17-18-12-8-11(19(21)22)4-5-14(12)27-17/h3-9H,1-2H3/b6-3+