tert-butyl 3-[(2E)-3-ethoxy-3-oxidanylidene-2-phenylmethoxyimino-propyl]-5-nitro-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2E)-3-ethoxy-3-oxidanylidene-2-phenylmethoxyimino-propyl]-5-nitro-indole-1-carboxylate Openeye Name: tert-butyl 3-[(2E)-2-benzyloxyimino-3-ethoxy-3-oxo-propyl]-5-nitro-indole-1-carboxylate CAS Name: 3-[(2E)-3-ethoxy-3-oxo-2-phenylmethoxyiminopropyl]-5-nitro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2E)-3-ethoxy-3-oxo-2-phenylmethoxyiminopropyl]-5-nitroindole-1-carboxylate Traditional Name: 3-[(2E)-2-benzyloximino-3-ethoxy-3-keto-propyl]-5-nitro-indole-1-carboxylic acid tert-butyl ester Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOCC1=CC=CC=C1)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=N/OCC1=CC=CC=C1)/CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C25H27N3O7/c1-5-33-23(29)21(26-34-16-17-9-7-6-8-10-17)13-18-15-27(24(30)35-25(2,3)4)22-12-11-19(28(31)32)14-20(18)22/h6-12,14-15H,5,13,16H2,1-4H3/b26-21+