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

Systemtic Name: 4-chloranyl-6-[[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[2-(4-mesyl-2-nitro-anilino)ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O5S/c1-26(24,25)13-3-4-14(15(9-13)20(22)23)19-7-6-18-10-11-8-12(17)2-5-16(11)21/h2-5,8-10,18-19H,6-7H2,1H3