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

Systemtic Name: ethyl 1-(4-methoxy-2-nitro-phenyl)-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-1-(4-methoxy-2-nitro-phenyl)indole-2-carboxylate CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(4-methoxy-2-nitrophenyl)indole-2-carboxylate Traditional Name: 3-benzyl-1-(4-methoxy-2-nitro-phenyl)indole-2-carboxylic acid ethyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1C3=C(C=C(C=C3)OC)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1C3=C(C=C(C=C3)OC)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5/c1-3-32-25(28)24-20(15-17-9-5-4-6-10-17)19-11-7-8-12-21(19)26(24)22-14-13-18(31-2)16-23(22)27(29)30/h4-14,16H,3,15H2,1-2H3