2-nitrobutyl (E)-4-(aminocarbonylamino)-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-nitrobutyl (E)-4-(aminocarbonylamino)-4-oxidanylidene-but-2-enoate Openeye Name: 2-nitrobutyl (E)-4-oxo-4-ureido-but-2-enoate CAS Name: (E)-4-(carbamoylamino)-4-oxo-2-butenoic acid 2-nitrobutyl ester IUPAC Name: 2-nitrobutyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-ureido-but-2-enoic acid 2-nitrobutyl ester Formula: C9H13N3O6 MolecularWeight: 259.21602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C=CC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)/C=C/C(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O6/c1-2-6(12(16)17)5-18-8(14)4-3-7(13)11-9(10)15/h3-4,6H,2,5H2,1H3,(H3,10,11,13,15)/b4-3+