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

Systemtic Name: 1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea Openeye Name: 1-[(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea CAS Name: 1-[(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-methylthiourea IUPAC Name: 1-[(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-methylthiourea Traditional Name: 1-[(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4S/c1-3-19-9-5-7(6-13-14-11(20)12-2)4-8(10(9)16)15(17)18/h4-6,13H,3H2,1-2H3,(H2,12,14,20)