6-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(4-ethoxy-3-pyrrolidinosulfonyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21N3O6S/c1-2-28-18-8-5-15(12-19(18)29(26,27)21-9-3-4-10-21)20-13-14-11-16(22(24)25)6-7-17(14)23/h5-8,11-13,20H,2-4,9-10H2,1H3