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

Systemtic Name: methyl 3-(1-methylindol-3-yl)-2-nitro-pentanoate Openeye Name: methyl 3-(1-methylindol-3-yl)-2-nitro-pentanoate CAS Name: 3-(1-methyl-3-indolyl)-2-nitropentanoic acid methyl ester IUPAC Name: methyl 3-(1-methylindol-3-yl)-2-nitropentanoate Traditional Name: 3-(1-methylindol-3-yl)-2-nitro-valeric acid methyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-4-10(14(17(19)20)15(18)21-3)12-9-16(2)13-8-6-5-7-11(12)13/h5-10,14H,4H2,1-3H3