8-[bis(cyanomethyl)carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[bis(cyanomethyl)carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[bis(cyanomethyl)carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[bis(cyanomethyl)amino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[bis(cyanomethyl)carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[bis(cyanomethyl)carbamoyl]-1-naphthoic acid Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)N(CC#N)CC#N)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)N(CC#N)CC#N)C(=CC=C2)C(=O)O

InChI

InChI=1S/C16H11N3O3/c17-7-9-19(10-8-18)15(20)12-5-1-3-11-4-2-6-13(14(11)12)16(21)22/h1-6H,9-10H2,(H,21,22)