methyl 3-(1H-indol-3-yl)-4-nitro-2-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-4-nitro-2-pyridin-3-yl-butanoate Openeye Name: methyl 3-(1H-indol-3-yl)-4-nitro-2-(3-pyridyl)butanoate CAS Name: 3-(1H-indol-3-yl)-4-nitro-2-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-4-nitro-2-pyridin-3-ylbutanoate Traditional Name: 3-(1H-indol-3-yl)-4-nitro-2-(3-pyridyl)butyric acid methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CN=CC=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(C1=CN=CC=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H17N3O4/c1-25-18(22)17(12-5-4-8-19-9-12)15(11-21(23)24)14-10-20-16-7-3-2-6-13(14)16/h2-10,15,17,20H,11H2,1H3