2-methoxyethyl 2-methyl-1-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: 2-methoxyethyl 2-methyl-1-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: 2-methoxyethyl 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]-3-indolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]indole-3-carboxylic acid 2-methoxyethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCNC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(N1CCNC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)C(=O)OCCOC

InChI

InChI=1S/C21H23N3O6/c1-14-20(21(26)30-12-11-29-2)18-13-17(25)7-8-19(18)23(14)10-9-22-15-3-5-16(6-4-15)24(27)28/h3-8,13,22,25H,9-12H2,1-2H3