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

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: [(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: [(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: [(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: [(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C9H10N4O4S MolecularWeight: 270.2651

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)N)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=S)N)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O4S/c1-17-7-3-5(4-11-12-9(10)18)2-6(8(7)14)13(15)16/h2-4,11H,1H3,(H3,10,12,18)