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

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-nitrophenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-nitrobenzoyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(4-nitrophenyl)-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-nitrobenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-nitrobenzoyl)ammonium Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-10-8-16(20)24-15-9-12(4-7-14(10)15)18-17(21)11-2-5-13(6-3-11)19(22)23/h2-3,5-6,8,15,20H,4,7,9H2,1H3/p+1