ethyl 2-ethyl-4-nitro-4,6-bis(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: ethyl 2-ethyl-4-nitro-4,6-bis(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Openeye Name: ethyl 2-ethyl-4,6-bis(isopropylcarbamoylamino)-4-nitro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-ethyl-4-nitro-4,6-bis[[oxo-(propan-2-ylamino)methyl]amino]-1-cyclohexa-2,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-nitro-4,6-bis(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 2-ethyl-4,6-bis(isopropylcarbamoylamino)-4-nitro-cyclohexa-2,5-diene-1-carboxylic acid ethyl ester Formula: C19H31N5O6 MolecularWeight: 425.47934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C=C(C1C(=O)OCC)NC(=O)NC(C)C)(NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(C=C(C1C(=O)OCC)NC(=O)NC(C)C)(NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H31N5O6/c1-7-13-9-19(24(28)29,23-18(27)21-12(5)6)10-14(15(13)16(25)30-8-2)22-17(26)20-11(3)4/h9-12,15H,7-8H2,1-6H3,(H2,20,22,26)(H2,21,23,27)