(5Z)-1-butyl-5-[5-(4-nitrophenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-butyl-5-[5-(4-nitrophenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-butyl-5-[5-(4-nitrophenyl)pyrazolidin-3-ylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-butyl-5-[5-(4-nitrophenyl)-3-pyrazolidinylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-butyl-5-[5-(4-nitrophenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-butyl-5-[5-(4-nitrophenyl)pyrazolidin-3-ylidene]barbituric acid Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C2CC(NN2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)/C(=C\2/CC(NN2)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)NC1=O

InChI

InChI=1S/C17H19N5O5/c1-2-3-8-21-16(24)14(15(23)18-17(21)25)13-9-12(19-20-13)10-4-6-11(7-5-10)22(26)27/h4-7,12,19-20H,2-3,8-9H2,1H3,(H,18,23,25)/b14-13-