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

Systemtic Name: 1-[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC=C1C=C(C(=O)C=C1O)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)NNC=C1C=C(C(=O)C=C1O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c1-2-3-12-11(20)14-13-6-7-4-8(15(18)19)10(17)5-9(7)16/h2,4-6,13,16H,1,3H2,(H2,12,14,20)