5-[bis(cyanomethyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[bis(cyanomethyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[bis(cyanomethyl)amino]-2-nitro-benzoic acid CAS Name: 5-[bis(cyanomethyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[bis(cyanomethyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[bis(cyanomethyl)amino]-2-nitro-benzoic acid Formula: C11H8N4O4 MolecularWeight: 260.20562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CC#N)CC#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N(CC#N)CC#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O4/c12-3-5-14(6-4-13)8-1-2-10(15(18)19)9(7-8)11(16)17/h1-2,7H,5-6H2,(H,16,17)