3-(5-acetamido-6-bromanyl-4-nitro-2,3-dihydro-1H-inden-1-yl)propanoic acid

Systemtic Name: 3-(5-acetamido-6-bromanyl-4-nitro-2,3-dihydro-1H-inden-1-yl)propanoic acid Openeye Name: 3-(5-acetamido-6-bromo-4-nitro-indan-1-yl)propanoic acid CAS Name: 3-(5-acetamido-6-bromo-4-nitro-2,3-dihydro-1H-inden-1-yl)propanoic acid IUPAC Name: 3-(5-acetamido-6-bromo-4-nitro-2,3-dihydro-1H-inden-1-yl)propanoic acid Traditional Name: 3-(5-acetamido-6-bromo-4-nitro-indan-1-yl)propionic acid Formula: C14H15BrN2O5 MolecularWeight: 371.1833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(CCC2=C1[N+](=O)[O-])CCC(=O)O)Br

Isomeric SMILES

CC(=O)NC1=C(C=C2C(CCC2=C1[N+](=O)[O-])CCC(=O)O)Br

InChI

InChI=1S/C14H15BrN2O5/c1-7(18)16-13-11(15)6-10-8(3-5-12(19)20)2-4-9(10)14(13)17(21)22/h6,8H,2-5H2,1H3,(H,16,18)(H,19,20)