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

Systemtic Name: 2-ethoxy-6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[2-(4-mesyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C1=O

InChI

InChI=1S/C18H21N3O6S/c1-3-27-17-6-4-5-13(18(17)22)12-19-9-10-20-15-8-7-14(28(2,25)26)11-16(15)21(23)24/h4-8,11-12,19-20H,3,9-10H2,1-2H3