ethyl N-[3-[(3-bromophenyl)amino]-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate

Systemtic Name: ethyl N-[3-[(3-bromophenyl)amino]-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate Openeye Name: ethyl N-[3-(3-bromoanilino)-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate CAS Name: N-[3-(3-bromoanilino)-2-[(ethoxycarbonylamino)-oxomethyl]-1-oxoprop-2-enyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(3-bromoanilino)-2-(ethoxycarbonylcarbamoyl)prop-2-enoyl]carbamate Traditional Name: N-[3-(3-bromoanilino)-2-(carbethoxycarbamoyl)acryloyl]carbamic acid ethyl ester Formula: C16H18BrN3O6 MolecularWeight: 428.23462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(=CNC1=CC(=CC=C1)Br)C(=O)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=O)C(=CNC1=CC(=CC=C1)Br)C(=O)NC(=O)OCC

InChI

InChI=1S/C16H18BrN3O6/c1-3-25-15(23)19-13(21)12(14(22)20-16(24)26-4-2)9-18-11-7-5-6-10(17)8-11/h5-9,18H,3-4H2,1-2H3,(H,19,21,23)(H,20,22,24)