methyl (E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-cinnolin-4-yl-prop-2-enoate

Systemtic Name: methyl (E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-cinnolin-4-yl-prop-2-enoate Openeye Name: methyl (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-cinnolin-4-yl-prop-2-enoate CAS Name: (E)-2-[[[2-bromo-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-(4-cinnolinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-cinnolin-4-ylprop-2-enoate Traditional Name: (E)-2-[[2-bromo-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-cinnolin-4-yl-acrylic acid methyl ester Formula: C27H21BrN4O5 MolecularWeight: 561.38344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN=NC2=CC=CC=C21)NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)O)Br

Isomeric SMILES

COC(=O)/C(=C\C1=CN=NC2=CC=CC=C21)/NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)O)Br

InChI

InChI=1S/C27H21BrN4O5/c1-37-27(36)24(13-18-15-30-32-23-8-3-2-7-20(18)23)31-26(35)21-10-9-17(12-22(21)28)25(34)29-14-16-5-4-6-19(33)11-16/h2-13,15,33H,14H2,1H3,(H,29,34)(H,31,35)/b24-13+