ethyl 2-(2-methyl-1H-indol-3-yl)-3-nitro-pentanoate

Systemtic Name: ethyl 2-(2-methyl-1H-indol-3-yl)-3-nitro-pentanoate Openeye Name: ethyl 2-(2-methyl-1H-indol-3-yl)-3-nitro-pentanoate CAS Name: 2-(2-methyl-1H-indol-3-yl)-3-nitropentanoic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-1H-indol-3-yl)-3-nitropentanoate Traditional Name: 2-(2-methyl-1H-indol-3-yl)-3-nitro-valeric acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C(NC2=CC=CC=C21)C)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C1=C(NC2=CC=CC=C21)C)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-4-13(18(20)21)15(16(19)22-5-2)14-10(3)17-12-9-7-6-8-11(12)14/h6-9,13,15,17H,4-5H2,1-3H3