6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(4-mesyl-2-nitro-anilino)ethylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C19H23N3O6S/c1-3-10-28-15-5-4-14(19(23)11-15)13-20-8-9-21-17-7-6-16(29(2,26)27)12-18(17)22(24)25/h4-7,11-13,20-21H,3,8-10H2,1-2H3