2-[[2-[(4-bromophenyl)carbonylamino]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(4-bromophenyl)carbonylamino]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(4-bromobenzoyl)amino]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(4-bromobenzoyl)amino]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(4-bromobenzoyl)amino]acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H13BrN3O5- MolecularWeight: 407.19552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br

InChI

InChI=1S/C16H14BrN3O5/c17-12-3-1-10(2-4-12)16(23)19-9-15(22)18-8-11-7-13(20(24)25)5-6-14(11)21/h1-7,21H,8-9H2,(H,18,22)(H,19,23)/p-1