[2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxo-chromen-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-tert-butylphenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-tert-butylphenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H23NO6/c1-16-8-13-22-21(14-16)23(29)25(34-26(30)18-6-5-7-20(15-18)28(31)32)24(33-22)17-9-11-19(12-10-17)27(2,3)4/h5-15H,1-4H3