[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H14BrN3O5 MolecularWeight: 456.24626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N=CC=C2

InChI

InChI=1S/C20H14BrN3O5/c21-16-11-15(24(27)28)7-8-17(16)23-18(25)12-29-19(26)9-6-14-4-1-3-13-5-2-10-22-20(13)14/h1-11H,12H2,(H,23,25)/b9-6+