quinolin-8-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: quinolin-8-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 8-quinolylmethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 8-quinolylmethyl ester Formula: C19H12N2O4S MolecularWeight: 364.37458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C19H12N2O4S/c22-19(17-10-14-9-15(21(23)24)6-7-16(14)26-17)25-11-13-4-1-3-12-5-2-8-20-18(12)13/h1-10H,11H2