[(Z)-(5-nitrothiophen-2-yl)methylideneamino] 4-nitrobenzoate

Systemtic Name: [(Z)-(5-nitrothiophen-2-yl)methylideneamino] 4-nitrobenzoate Openeye Name: [(Z)-(5-nitro-2-thienyl)methyleneamino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-(5-nitro-2-thiophenyl)methylideneamino] ester IUPAC Name: [(Z)-(5-nitrothiophen-2-yl)methylideneamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-(5-nitro-2-thienyl)methyleneamino] ester Formula: C12H7N3O6S MolecularWeight: 321.26548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)ON=CC2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O/N=C\C2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O6S/c16-12(8-1-3-9(4-2-8)14(17)18)21-13-7-10-5-6-11(22-10)15(19)20/h1-7H/b13-7-