[2-azanylidene-2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [2-azanylidene-2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethyl] 4-nitrobenzoate Openeye Name: [2-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-2-imino-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-iminoethyl] ester IUPAC Name: [2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-2-iminoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-2-imino-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C1C=C(C=C2C(=N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C)C

Isomeric SMILES

CC1(CCC2=C1C=C(C=C2C(=N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C24H28N2O4/c1-23(2,3)16-12-19(18-10-11-24(4,5)20(18)13-16)21(25)14-30-22(27)15-6-8-17(9-7-15)26(28)29/h6-9,12-13,25H,10-11,14H2,1-5H3