tert-butyl 4-[4-[4-nitro-1,3-bis(oxidanylidene)inden-2-yl]carbonylphenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-nitro-1,3-bis(oxidanylidene)inden-2-yl]carbonylphenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-nitro-1,3-dioxo-indane-2-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-nitro-1,3-dioxo-2-indenyl)-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-nitro-1,3-dioxoindene-2-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-diketo-4-nitro-indane-2-carbonyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O7/c1-25(2,3)35-24(32)27-13-11-26(12-14-27)16-9-7-15(8-10-16)21(29)20-22(30)17-5-4-6-18(28(33)34)19(17)23(20)31/h4-10,20H,11-14H2,1-3H3