(2-chloranyl-5-nitro-phenyl)carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (2-chloro-5-nitro-benzoyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [(2-chloro-5-nitrophenyl)-oxomethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: (2-chloro-5-nitrobenzoyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (2-chloro-5-nitro-benzoyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C17H16ClN2O5+ MolecularWeight: 363.77234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)CC2OC(=C1)O

InChI

InChI=1S/C17H15ClN2O5/c1-9-6-16(21)25-15-7-10(2-4-12(9)15)19-17(22)13-8-11(20(23)24)3-5-14(13)18/h3,5-6,8,15,21H,2,4,7H2,1H3/p+1