[(E)-furan-2-ylmethylideneamino] 3,5-dinitrobenzoate

Systemtic Name: [(E)-furan-2-ylmethylideneamino] 3,5-dinitrobenzoate Openeye Name: [(E)-2-furylmethyleneamino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-2-furanylmethylideneamino] ester IUPAC Name: [(E)-furan-2-ylmethylideneamino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-2-furfurylideneamino] ester Formula: C12H7N3O7 MolecularWeight: 305.19988

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)/C=N/OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O7/c16-12(22-13-7-11-2-1-3-21-11)8-4-9(14(17)18)6-10(5-8)15(19)20/h1-7H/b13-7+