[4-methyl-6-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-nitro-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-6-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-nitro-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-6-[(E)-2-(5-methyl-2-furyl)vinyl]-3-nitro-2-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-6-[(E)-2-(5-methyl-2-furanyl)ethenyl]-3-nitro-2-oxo-1-pyridinyl] ester IUPAC Name: [4-methyl-6-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-nitro-2-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-methyl-6-[(E)-2-(5-methyl-2-furyl)vinyl]-3-nitro-1-pyridyl] ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)[N+](=O)[O-])C)C=CC3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)[N+](=O)[O-])C)/C=C/C3=CC=C(O3)C

InChI

InChI=1S/C20H18N2O7S/c1-13-4-10-18(11-5-13)30(26,27)29-21-16(7-9-17-8-6-15(3)28-17)12-14(2)19(20(21)23)22(24)25/h4-12H,1-3H3/b9-7+