2-[2,2-bis(chloranyl)ethanoylamino]-3-(5-nitro-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2,2-bis(chloranyl)ethanoylamino]-3-(5-nitro-1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid CAS Name: 2-[(2,2-dichloro-1-oxoethyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propionic acid Formula: C13H11Cl2N3O5 MolecularWeight: 360.14954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)NC(=O)C(Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C13H11Cl2N3O5/c14-11(15)12(19)17-10(13(20)21)3-6-5-16-9-2-1-7(18(22)23)4-8(6)9/h1-2,4-5,10-11,16H,3H2,(H,17,19)(H,20,21)