1-butyl-3-[4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-urea Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-2-3-10-19-18(24)21-29(27,28)16-7-4-14(5-8-16)20-12-13-11-15(22(25)26)6-9-17(13)23/h4-9,11-12,20H,2-3,10H2,1H3,(H2,19,21,24)