triethyl 3-nitro-2-[1-(phenylmethyl)indol-3-yl]propane-1,1,3-tricarboxylate

Systemtic Name: triethyl 3-nitro-2-[1-(phenylmethyl)indol-3-yl]propane-1,1,3-tricarboxylate Openeye Name: triethyl 2-(1-benzylindol-3-yl)-3-nitro-propane-1,1,3-tricarboxylate CAS Name: 3-nitro-2-[1-(phenylmethyl)-3-indolyl]propane-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 2-(1-benzylindol-3-yl)-3-nitropropane-1,1,3-tricarboxylate Traditional Name: 2-(1-benzylindol-3-yl)-3-nitro-propane-1,1,3-tricarboxylic acid triethyl ester Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(C(=O)OCC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C(C(=O)OCC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C27H30N2O8/c1-4-35-25(30)23(26(31)36-5-2)22(24(29(33)34)27(32)37-6-3)20-17-28(16-18-12-8-7-9-13-18)21-15-11-10-14-19(20)21/h7-15,17,22-24H,4-6,16H2,1-3H3