methyl 3-[4-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-1H-indol-3-yl]-2-nitro-propanoate

Systemtic Name: methyl 3-[4-[(E)-3-methyl-3-oxidanyl-but-1-enyl]-1H-indol-3-yl]-2-nitro-propanoate Openeye Name: methyl 3-[4-[(E)-3-hydroxy-3-methyl-but-1-enyl]-1H-indol-3-yl]-2-nitro-propanoate CAS Name: 3-[4-[(E)-3-hydroxy-3-methylbut-1-enyl]-1H-indol-3-yl]-2-nitropropanoic acid methyl ester IUPAC Name: methyl 3-[4-[(E)-3-hydroxy-3-methylbut-1-enyl]-1H-indol-3-yl]-2-nitropropanoate Traditional Name: 3-[4-[(E)-3-hydroxy-3-methyl-but-1-enyl]-1H-indol-3-yl]-2-nitro-propionic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(/C=C/C1=C2C(=CC=C1)NC=C2CC(C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C17H20N2O5/c1-17(2,21)8-7-11-5-4-6-13-15(11)12(10-18-13)9-14(19(22)23)16(20)24-3/h4-8,10,14,18,21H,9H2,1-3H3/b8-7+