(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O

InChI

InChI=1S/C20H20N2O7/c1-11-4-3-5-16(19(11)22(26)27)20(25)28-10-13-8-18(24)29-17-9-14(21-12(2)23)6-7-15(13)17/h3-5,8,17,24H,6-7,9-10H2,1-2H3