2-methoxy-6-nitro-4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenolate Traditional Name: 4-[(E)-3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H19N2O7S- MolecularWeight: 431.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20N2O7S/c1-29-19-13-14(12-17(20(19)24)22(25)26)4-9-18(23)15-5-7-16(8-6-15)30(27,28)21-10-2-3-11-21/h4-9,12-13,24H,2-3,10-11H2,1H3/p-1/b9-4+