[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C30H27ClN2O6 MolecularWeight: 546.99818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C30H27ClN2O6/c1-30(2,3)20-9-6-18(7-10-20)27-28(26(34)22-17-21(31)11-13-25(22)38-27)39-29(35)19-8-12-23(24(16-19)33(36)37)32-14-4-5-15-32/h6-13,16-17H,4-5,14-15H2,1-3H3