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

Systemtic Name: ethyl 5-ethoxy-1-(4-methoxy-2-nitro-phenyl)-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-5-ethoxy-1-(4-methoxy-2-nitro-phenyl)indole-2-carboxylate CAS Name: 5-ethoxy-1-(4-methoxy-2-nitrophenyl)-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-ethoxy-1-(4-methoxy-2-nitrophenyl)indole-2-carboxylate Traditional Name: 3-benzyl-5-ethoxy-1-(4-methoxy-2-nitro-phenyl)indole-2-carboxylic acid ethyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O6/c1-4-34-20-12-13-23-21(16-20)22(15-18-9-7-6-8-10-18)26(27(30)35-5-2)28(23)24-14-11-19(33-3)17-25(24)29(31)32/h6-14,16-17H,4-5,15H2,1-3H3