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

Systemtic Name: 6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(4-mesyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC=C2C=CC=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC=C2C=CC=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-25(23,24)13-6-7-14(15(10-13)19(21)22)18-9-8-17-11-12-4-2-3-5-16(12)20/h2-7,10-11,17-18H,8-9H2,1H3