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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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