O1-tert-butyl O2-ethyl 6-nitro-3-[(3-oxidanylidene-3-phenyl-propyl)amino]indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 6-nitro-3-[(3-oxidanylidene-3-phenyl-propyl)amino]indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 6-nitro-3-[(3-oxo-3-phenyl-propyl)amino]indole-1,2-dicarboxylate CAS Name: 6-nitro-3-[(3-oxo-3-phenylpropyl)amino]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 6-nitro-3-[(3-oxo-3-phenylpropyl)amino]indole-1,2-dicarboxylate Traditional Name: 3-[(3-keto-3-phenyl-propyl)amino]-6-nitro-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C25H27N3O7 MolecularWeight: 481.49778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)[N+](=O)[O-])NCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)[N+](=O)[O-])NCCC(=O)C3=CC=CC=C3

InChI

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