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

Systemtic Name: 1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: [(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: [(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: [(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: [(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)N)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CNNC(=S)N)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4S/c1-2-18-8-4-6(5-12-13-10(11)19)3-7(9(8)15)14(16)17/h3-5,12H,2H2,1H3,(H3,11,13,19)