ethyl 4-methoxy-2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)butanoate

Systemtic Name: ethyl 4-methoxy-2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)butanoate Openeye Name: ethyl 3-(5-benzyloxy-1H-indol-3-yl)-4-methoxy-2-nitro-butanoate CAS Name: 4-methoxy-2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-methoxy-2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)butanoate Traditional Name: 3-(5-benzoxy-1H-indol-3-yl)-4-methoxy-2-nitro-butyric acid ethyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(COC)C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(COC)C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-3-29-22(25)21(24(26)27)19(14-28-2)18-12-23-20-10-9-16(11-17(18)20)30-13-15-7-5-4-6-8-15/h4-12,19,21,23H,3,13-14H2,1-2H3