methyl 3-(1-methylindol-3-yl)-2-nitro-heptanoate

Systemtic Name: methyl 3-(1-methylindol-3-yl)-2-nitro-heptanoate Openeye Name: methyl 3-(1-methylindol-3-yl)-2-nitro-heptanoate CAS Name: 3-(1-methyl-3-indolyl)-2-nitroheptanoic acid methyl ester IUPAC Name: methyl 3-(1-methylindol-3-yl)-2-nitroheptanoate Traditional Name: 3-(1-methylindol-3-yl)-2-nitro-enanthic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 320.35289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN(C2=CC=CC=C21)C)C(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C1=CN(C2=CC=CC=C21)C)[13CH]([13C](=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4/c1-4-5-8-13(16(19(21)22)17(20)23-3)14-11-18(2)15-10-7-6-9-12(14)15/h6-7,9-11,13,16H,4-5,8H2,1-3H3/i16+1,17+1