1-[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4S/c19-12-7-13(20)11(18(21)22)6-9(12)8-15-17-14(23)16-10-4-2-1-3-5-10/h1-8,15,19H,(H2,16,17,23)