tert-butyl 3-methoxy-4-[(6-nitroindol-1-yl)methyl]benzoate

Systemtic Name: tert-butyl 3-methoxy-4-[(6-nitroindol-1-yl)methyl]benzoate Openeye Name: tert-butyl 3-methoxy-4-[(6-nitroindol-1-yl)methyl]benzoate CAS Name: 3-methoxy-4-[(6-nitro-1-indolyl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methoxy-4-[(6-nitroindol-1-yl)methyl]benzoate Traditional Name: 3-methoxy-4-[(6-nitroindol-1-yl)methyl]benzoic acid tert-butyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=CC3=C2C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=CC3=C2C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O5/c1-21(2,3)28-20(24)15-5-6-16(19(11-15)27-4)13-22-10-9-14-7-8-17(23(25)26)12-18(14)22/h5-12H,13H2,1-4H3