[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O7S/c24-19(21-7-1-2-12-8-14(22(26)27)3-5-16(12)21)11-30-20(25)18-10-13-9-15(23(28)29)4-6-17(13)31-18/h3-6,8-10H,1-2,7,11H2