2-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(2-bromophenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H12BrN2O4- MolecularWeight: 376.18148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O4/c17-14-4-2-1-3-11(14)5-8-16(21)18-10-12-9-13(19(22)23)6-7-15(12)20/h1-9,20H,10H2,(H,18,21)/p-1/b8-5+