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

Systemtic Name: methyl 3-(1-methylindol-3-yl)-2-nitro-butanoate Openeye Name: methyl 3-(1-methylindol-3-yl)-2-nitro-butanoate CAS Name: 3-(1-methyl-3-indolyl)-2-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(1-methylindol-3-yl)-2-nitrobutanoate Traditional Name: 3-(1-methylindol-3-yl)-2-nitro-butyric acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-9(13(16(18)19)14(17)20-3)11-8-15(2)12-7-5-4-6-10(11)12/h4-9,13H,1-3H3