4-[(E)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(5-chloranylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(5-chloro-2-thienyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(5-chloro-2-thiophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(5-chloro-2-thienyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C14H9ClNO5S- MolecularWeight: 338.74296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H10ClNO5S/c1-21-11-7-8(6-9(14(11)18)16(19)20)2-3-10(17)12-4-5-13(15)22-12/h2-7,18H,1H3/p-1/b3-2+