ethyl 5-methoxy-3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(isopropylamino)-(4-nitrophenyl)methyl]-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[(isopropylamino)-(4-nitrophenyl)methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)[N+](=O)[O-])NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)[N+](=O)[O-])NC(C)C

InChI

InChI=1S/C22H25N3O5/c1-5-30-22(26)21-19(17-12-16(29-4)10-11-18(17)24-21)20(23-13(2)3)14-6-8-15(9-7-14)25(27)28/h6-13,20,23-24H,5H2,1-4H3