2-[[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C17H14BrN2O5- MolecularWeight: 406.20746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H15BrN2O5/c1-25-16-6-3-13(18)8-11(16)2-7-17(22)19-10-12-9-14(20(23)24)4-5-15(12)21/h2-9,21H,10H2,1H3,(H,19,22)/p-1/b7-2+