2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitrobenzoyl]amino]acetic acid Traditional Name: 2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-benzoyl]amino]acetic acid Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O5/c1-10(12-4-2-3-5-13(12)18)20-14-7-6-11(8-15(14)21(25)26)17(24)19-9-16(22)23/h2-8,10,20H,9H2,1H3,(H,19,24)(H,22,23)