tert-butyl 2-[5-nitro-2-(phenylcarbamoyl)indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-nitro-2-(phenylcarbamoyl)indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-nitro-2-(phenylcarbamoyl)indol-1-yl]acetate CAS Name: 2-[2-[anilino(oxo)methyl]-5-nitro-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-nitro-2-(phenylcarbamoyl)indol-1-yl]acetate Traditional Name: 2-[5-nitro-2-(phenylcarbamoyl)indol-1-yl]acetic acid tert-butyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)29-19(25)13-23-17-10-9-16(24(27)28)11-14(17)12-18(23)20(26)22-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,22,26)