methyl 6-cyano-5-nitro-naphthalene-2-carboxylate

Systemtic Name: methyl 6-cyano-5-nitro-naphthalene-2-carboxylate Openeye Name: methyl 6-cyano-5-nitro-naphthalene-2-carboxylate CAS Name: 6-cyano-5-nitro-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-cyano-5-nitronaphthalene-2-carboxylate Traditional Name: 6-cyano-5-nitro-naphthalene-2-carboxylic acid methyl ester Formula: C13H8N2O4 MolecularWeight: 256.21362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4/c1-19-13(16)9-4-5-11-8(6-9)2-3-10(7-14)12(11)15(17)18/h2-6H,1H3