[6-chloranyl-2-(2-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [6-chloranyl-2-(2-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxo-chromen-3-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [6-chloro-2-(2-chlorophenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H20Cl2N2O6 MolecularWeight: 539.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5Cl)Cl

InChI

InChI=1S/C27H20Cl2N2O6/c1-15-12-23-18(14-20(15)29)24(32)26(25(36-23)17-6-2-3-7-19(17)28)37-27(33)16-8-9-21(22(13-16)31(34)35)30-10-4-5-11-30/h2-3,6-9,12-14H,4-5,10-11H2,1H3