(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C19H18ClN2O5+ MolecularWeight: 389.80962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C19H17ClN2O5/c1-11-17(23)6-4-15-12(8-18(24)27-19(11)15)9-21(2)10-13-7-14(22(25)26)3-5-16(13)20/h3-8,23H,9-10H2,1-2H3/p+1