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

Systemtic Name: methyl 2-methyl-1-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-12-18(19(24)27-2)16-11-15(23)7-8-17(16)21(12)10-9-20-13-3-5-14(6-4-13)22(25)26/h3-8,11,20,23H,9-10H2,1-2H3