4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(C)C

InChI

InChI=1S/C22H23ClN2O4/c1-13(2)18-10-19-15(9-22(26)29-21(19)7-14(18)3)11-24(4)12-16-8-17(25(27)28)5-6-20(16)23/h5-10,13H,11-12H2,1-4H3