2-azanyl-2-[5-(3-bromophenyl)carbonyl-2-nitro-phenyl]propanoic acid

Systemtic Name: 2-azanyl-2-[5-(3-bromophenyl)carbonyl-2-nitro-phenyl]propanoic acid Openeye Name: 2-amino-2-[5-(3-bromobenzoyl)-2-nitro-phenyl]propanoic acid CAS Name: 2-amino-2-[5-[(3-bromophenyl)-oxomethyl]-2-nitrophenyl]propanoic acid IUPAC Name: 2-amino-2-[5-(3-bromobenzoyl)-2-nitrophenyl]propanoic acid Traditional Name: 2-amino-2-[5-(3-bromobenzoyl)-2-nitro-phenyl]propionic acid Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O5/c1-16(18,15(21)22)12-8-10(5-6-13(12)19(23)24)14(20)9-3-2-4-11(17)7-9/h2-8H,18H2,1H3,(H,21,22)