[2-[(4-bromophenyl)carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(4-bromophenyl)carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[(4-bromophenyl)carbamoylamino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[[(4-bromoanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-bromophenyl)carbamoylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[(4-bromophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC(=O)NC(=O)NC3=CC=C(C=C3)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC(=O)NC(=O)NC3=CC=C(C=C3)Br)N=CC=C2

InChI

InChI=1S/C21H16BrN3O4/c22-16-7-9-17(10-8-16)24-21(28)25-18(26)13-29-19(27)11-6-15-4-1-3-14-5-2-12-23-20(14)15/h1-12H,13H2,(H2,24,25,26,28)/b11-6+