methyl 5-bromanyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 5-bromo-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 5-bromo-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 5-bromo-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid methyl ester Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN2O5/c1-25-17(22)14-10-12(18)6-7-15(14)19-16(21)8-5-11-3-2-4-13(9-11)20(23)24/h2-10H,1H3,(H,19,21)/b8-5+