2-[5,6-bis(chloranyl)-2,4-dinitro-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5,6-bis(chloranyl)-2,4-dinitro-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(5,6-dichloro-2,4-dinitro-1H-indol-3-yl)acetic acid CAS Name: 2-(5,6-dichloro-2,4-dinitro-1H-indol-3-yl)acetic acid IUPAC Name: 2-(5,6-dichloro-2,4-dinitro-1H-indol-3-yl)acetic acid Traditional Name: 2-(5,6-dichloro-2,4-dinitro-1H-indol-3-yl)acetic acid Formula: C10H5Cl2N3O6 MolecularWeight: 334.0692

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])C(=C(N2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])C(=C(N2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C10H5Cl2N3O6/c11-4-2-5-7(9(8(4)12)14(18)19)3(1-6(16)17)10(13-5)15(20)21/h2,13H,1H2,(H,16,17)