2-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]benzoic acid Openeye Name: 2-[[(E)-(5-nitro-2-thienyl)methyleneamino]carbamoyl]benzoic acid CAS Name: 2-[[(2E)-2-[(5-nitro-2-thiophenyl)methylidene]hydrazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]benzoic acid Traditional Name: 2-[[(E)-(5-nitro-2-thienyl)methyleneamino]carbamoyl]benzoic acid Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O5S/c17-12(9-3-1-2-4-10(9)13(18)19)15-14-7-8-5-6-11(22-8)16(20)21/h1-7H,(H,15,17)(H,18,19)/b14-7+