ethyl 2-[[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H17BrN4O6S MolecularWeight: 497.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)NNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)NNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN4O6S/c1-2-29-17(25)14-11-4-3-5-13(11)30-16(14)21-18(26)22-20-8-9-6-10(19)7-12(15(9)24)23(27)28/h6-8,20H,2-5H2,1H3,(H2,21,22,26)