2-azanyl-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-[(2-nitrophenyl)thio]indol-3-yl]propionic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2SC3=CC=CC=C3[N+](=O)[O-])CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2SC3=CC=CC=C3[N+](=O)[O-])CC(C(=O)O)N

InChI

InChI=1S/C17H15N3O4S/c18-13(17(21)22)9-11-10-19(14-6-2-1-5-12(11)14)25-16-8-4-3-7-15(16)20(23)24/h1-8,10,13H,9,18H2,(H,21,22)