methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN2O4/c1-27-20(26)17-12-23(19(25)16-5-3-2-4-15(16)17)22-18(24)11-8-13-6-9-14(21)10-7-13/h2-12H,1H3,(H,22,24)/b11-8+