ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-ethoxy-3-(phenylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-ethoxy-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-ethoxy-indole-2-carboxylate CAS Name: 1-(4-chloro-2-nitrophenyl)-5-ethoxy-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(4-chloro-2-nitrophenyl)-5-ethoxyindole-2-carboxylate Traditional Name: 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-ethoxy-indole-2-carboxylic acid ethyl ester Formula: C26H23ClN2O5 MolecularWeight: 478.92422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C2CC3=CC=CC=C3)C(=O)OCC)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C2CC3=CC=CC=C3)C(=O)OCC)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H23ClN2O5/c1-3-33-19-11-13-22-20(16-19)21(14-17-8-6-5-7-9-17)25(26(30)34-4-2)28(22)23-12-10-18(27)15-24(23)29(31)32/h5-13,15-16H,3-4,14H2,1-2H3