ethyl (2E)-1-(aminocarbonylamino)-2-(1-chloranyl-2-oxidanylidene-propylidene)-5-methyl-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl (2E)-1-(aminocarbonylamino)-2-(1-chloranyl-2-oxidanylidene-propylidene)-5-methyl-3H-pyrrole-4-carboxylate Openeye Name: ethyl (2E)-2-(1-chloro-2-oxo-propylidene)-5-methyl-1-ureido-3H-pyrrole-4-carboxylate CAS Name: (2E)-1-(carbamoylamino)-2-(1-chloro-2-oxopropylidene)-5-methyl-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-1-(carbamoylamino)-2-(1-chloro-2-oxopropylidene)-5-methyl-3H-pyrrole-4-carboxylate Traditional Name: (5E)-5-(1-chloro-2-keto-propylidene)-2-methyl-1-ureido-2-pyrroline-3-carboxylic acid ethyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C(=O)C)Cl)C1)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(/C(=C(\C(=O)C)/Cl)/C1)NC(=O)N)C

InChI

InChI=1S/C12H16ClN3O4/c1-4-20-11(18)8-5-9(10(13)7(3)17)16(6(8)2)15-12(14)19/h4-5H2,1-3H3,(H3,14,15,19)/b10-9+