(7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (7-carbethoxyimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-2-30-22(27)23-16-7-8-18-15(11-21(26)32-19(18)12-16)13-31-20(25)9-6-14-4-3-5-17(10-14)24(28)29/h3-6,9-11,19,26H,2,7-8,12-13H2,1H3/b9-6+,23-16?