ethyl 2-[(5-bromanyl-1H-indol-3-yl)methyl]-2-nitro-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-[(5-bromanyl-1H-indol-3-yl)methyl]-2-nitro-3-oxidanyl-propanoate Openeye Name: ethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-3-hydroxy-2-nitro-propanoate CAS Name: 2-[(5-bromo-1H-indol-3-yl)methyl]-3-hydroxy-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-3-hydroxy-2-nitropropanoate Traditional Name: 2-[(5-bromo-1H-indol-3-yl)methyl]-3-hydroxy-2-nitro-propionic acid ethyl ester Formula: C14H15BrN2O5 MolecularWeight: 371.1833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)Br)(CO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)Br)(CO)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN2O5/c1-2-22-13(19)14(8-18,17(20)21)6-9-7-16-12-4-3-10(15)5-11(9)12/h3-5,7,16,18H,2,6,8H2,1H3