[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C27H22ClNO6/c1-15-13-22-19(14-20(15)28)23(30)25(35-26(31)18-7-5-6-8-21(18)29(32)33)24(34-22)16-9-11-17(12-10-16)27(2,3)4/h5-14H,1-4H3