(3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propanoic acid

Systemtic Name: (3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propanoic acid Openeye Name: (3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propanoic acid CAS Name: (3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propanoic acid IUPAC Name: (3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propanoic acid Traditional Name: (3S)-3-(3-chlorophenyl)-3-(5-nitro-1H-indol-3-yl)propionic acid Formula: C17H13ClN2O4 MolecularWeight: 344.74912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(CC(=O)O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)[C@H](CC(=O)O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O4/c18-11-3-1-2-10(6-11)13(8-17(21)22)15-9-19-16-5-4-12(20(23)24)7-14(15)16/h1-7,9,13,19H,8H2,(H,21,22)/t13-/m0/s1