3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid

Systemtic Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid Openeye Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid CAS Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-methoxy-2-nitrobutanoic acid IUPAC Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-methoxy-2-nitrobutanoic acid Traditional Name: 3-[4-(2-chlorobenzyl)-1H-indol-3-yl]-4-methoxy-2-nitro-butyric acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3Cl)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3Cl)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O5/c1-28-11-15(19(20(24)25)23(26)27)14-10-22-17-8-4-6-13(18(14)17)9-12-5-2-3-7-16(12)21/h2-8,10,15,19,22H,9,11H2,1H3,(H,24,25)