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

Systemtic Name: ethyl 2-methyl-4-nitro-4,6-bis(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Openeye Name: ethyl 2,4-bis(isopropylcarbamoylamino)-6-methyl-4-nitro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-methyl-4-nitro-4,6-bis[[oxo-(propan-2-ylamino)methyl]amino]-1-cyclohexa-2,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-nitro-4,6-bis(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 2,4-bis(isopropylcarbamoylamino)-6-methyl-4-nitro-cyclohexa-2,5-diene-1-carboxylic acid ethyl ester Formula: C18H29N5O6 MolecularWeight: 411.45276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=CC(C=C1NC(=O)NC(C)C)(NC(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1C(=CC(C=C1NC(=O)NC(C)C)(NC(=O)NC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H29N5O6/c1-7-29-15(24)14-12(6)8-18(23(27)28,22-17(26)20-11(4)5)9-13(14)21-16(25)19-10(2)3/h8-11,14H,7H2,1-6H3,(H2,19,21,25)(H2,20,22,26)