1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Formula: C11H13ClN4O4S MolecularWeight: 332.76332

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

Isomeric SMILES

COCCNC(=S)NNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H13ClN4O4S/c1-20-3-2-13-11(21)15-14-6-7-4-8(12)5-9(10(7)17)16(18)19/h4-6,14H,2-3H2,1H3,(H2,13,15,21)